3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide

C17H22ClN5O — CID 91769760

IUPAC3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2[nH]nc(N)c2Cl)(c2ccccc2)CC1
InChIInChI=1S/C17H22ClN5O/c1-23-9-7-17(8-10-23,12-5-3-2-4-6-12)11-20-16(24)14-13(18)15(19)22-21-14/h2-6H,7-11H2,1H3,(H,20,24)(H3,19,21,22)
InChIKeyFTWDCWRVMPVCNT-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91769760) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91769760
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CNC(=O)c2[nH]nc(N)c2Cl)(c2ccccc2)CC1
InChIInChI=1S/C17H22ClN5O/c1-23-9-7-17(8-10-23,12-5-3-2-4-6-12)11-20-16(24)14-13(18)15(19)22-21-14/h2-6H,7-11H2,1H3,(H,20,24)(H3,19,21,22)
InChIKeyFTWDCWRVMPVCNT-UHFFFAOYSA-N
XLogP2.04
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
butane;formaldehyde;N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 143049208
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 91769760) is 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCC(CNC(=O)c2[nH]nc(N)c2Cl)(c2ccccc2)CC1.
What is the InChIKey of 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FTWDCWRVMPVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-23-9-7-17(8-10-23,12-5-3-2-4-6-12)11-20-16(24)14-13(18)15(19)22-21-14/h2-6H,7-11H2,1H3,(H,20,24)(H3,19,21,22).
What are the key properties of 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91769760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).