N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide

C16H20N4O3 — CID 75536078

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)n(C)n1
InChIInChI=1S/C16H20N4O3/c1-9-6-12(20(2)19-9)16(23)18-14-11(7-13(21)15(14)22)10-4-3-5-17-8-10/h3-6,8,11,13-15,21-22H,7H2,1-2H3,(H,18,23)/t11-,13-,14-,15-/m1/s1
InChIKeyOYFVRRZDGDMTRB-NMFUWQPSSA-N
MW316.36 g/mol
LogP0.13
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 75536078) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID75536078
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)n(C)n1
InChIInChI=1S/C16H20N4O3/c1-9-6-12(20(2)19-9)16(23)18-14-11(7-13(21)15(14)22)10-4-3-5-17-8-10/h3-6,8,11,13-15,21-22H,7H2,1-2H3,(H,18,23)/t11-,13-,14-,15-/m1/s1
InChIKeyOYFVRRZDGDMTRB-NMFUWQPSSA-N
XLogP0.13
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide (CID 75536078) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)n(C)n1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OYFVRRZDGDMTRB-NMFUWQPSSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-6-12(20(2)19-9)16(23)18-14-11(7-13(21)15(14)22)10-4-3-5-17-8-10/h3-6,8,11,13-15,21-22H,7H2,1-2H3,(H,18,23)/t11-,13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75536078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).