4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide

C16H22ClN5O2S — CID 146041162

IUPAC4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nc(CN2CC[C@H](O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)C2)cs1
InChIInChI=1S/C16H22ClN5O2S/c1-9-14(17)15(21(3)20-9)16(24)19-12-7-22(5-4-13(12)23)6-11-8-25-10(2)18-11/h8,12-13,23H,4-7H2,1-3H3,(H,19,24)/t12-,13+/m1/s1
InChIKeyHRZFPRIPUNVEQB-OLZOCXBDSA-N
MW383.91 g/mol
LogP1.51
Rot. Bonds4

About 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 146041162) has the molecular formula C16H22ClN5O2S and a molecular weight of 383.91 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID146041162
Molecular FormulaC16H22ClN5O2S
Molecular Weight383.91 g/mol
Exact Mass383.12
IUPAC Name4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nc(CN2CC[C@H](O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)C2)cs1
InChIInChI=1S/C16H22ClN5O2S/c1-9-14(17)15(21(3)20-9)16(24)19-12-7-22(5-4-13(12)23)6-11-8-25-10(2)18-11/h8,12-13,23H,4-7H2,1-3H3,(H,19,24)/t12-,13+/m1/s1
InChIKeyHRZFPRIPUNVEQB-OLZOCXBDSA-N
XLogP1.51
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide with MolForge

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Related Compounds

4-chloro-N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 118778411
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 118786159
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 118790063
2-amino-N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidine-4-carboxamide
CID 164639029
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 118792062
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
4-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one
CID 111825512
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 146041162) is 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nc(CN2CC[C@H](O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)C2)cs1.
What is the InChIKey of 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is HRZFPRIPUNVEQB-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22ClN5O2S/c1-9-14(17)15(21(3)20-9)16(24)19-12-7-22(5-4-13(12)23)6-11-8-25-10(2)18-11/h8,12-13,23H,4-7H2,1-3H3,(H,19,24)/t12-,13+/m1/s1.
What are the key properties of 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 383.91 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 146041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).