N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

C19H26N4O3 — CID 110158799

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C19H26N4O3/c1-13(2)23-16(9-11-21-23)19(25)22(3)15-7-4-8-17(18(15)24)26-14-6-5-10-20-12-14/h5-6,9-13,15,17-18,24H,4,7-8H2,1-3H3/t15-,17-,18-/m1/s1
InChIKeyDRKBHAUBJAXJIJ-KBAYOESNSA-N
MW358.44 g/mol
LogP2.29
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110158799) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID110158799
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C19H26N4O3/c1-13(2)23-16(9-11-21-23)19(25)22(3)15-7-4-8-17(18(15)24)26-14-6-5-10-20-12-14/h5-6,9-13,15,17-18,24H,4,7-8H2,1-3H3/t15-,17-,18-/m1/s1
InChIKeyDRKBHAUBJAXJIJ-KBAYOESNSA-N
XLogP2.29
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110125792
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
N-[(1R,2S,3S)-3-(3-fluorophenoxy)-2-hydroxycyclohexyl]-N,4-dimethylpyrimidine-5-carboxamide
CID 110146827
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166179
N-[(1R,2S,3S)-3-(3-fluorophenoxy)-2-hydroxycyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110146667
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide
CID 110125755
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 110158791
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
CID 155901349

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide (CID 110158799) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is DRKBHAUBJAXJIJ-KBAYOESNSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)23-16(9-11-21-23)19(25)22(3)15-7-4-8-17(18(15)24)26-14-6-5-10-20-12-14/h5-6,9-13,15,17-18,24H,4,7-8H2,1-3H3/t15-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110158799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).