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

C17H22N4O3 — CID 75536064

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1
InChIInChI=1S/C17H22N4O3/c1-3-21-13(7-10(2)20-21)17(24)19-15-12(8-14(22)16(15)23)11-5-4-6-18-9-11/h4-7,9,12,14-16,22-23H,3,8H2,1-2H3,(H,19,24)/t12-,14-,15-,16-/m1/s1
InChIKeyCDHFZBHTUBVCLC-DTZQCDIJSA-N
MW330.39 g/mol
LogP0.61
Rot. Bonds4

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

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 75536064) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID75536064
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1
InChIInChI=1S/C17H22N4O3/c1-3-21-13(7-10(2)20-21)17(24)19-15-12(8-14(22)16(15)23)11-5-4-6-18-9-11/h4-7,9,12,14-16,22-23H,3,8H2,1-2H3,(H,19,24)/t12-,14-,15-,16-/m1/s1
InChIKeyCDHFZBHTUBVCLC-DTZQCDIJSA-N
XLogP0.61
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.61
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-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 75536064) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is CDHFZBHTUBVCLC-DTZQCDIJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-21-13(7-10(2)20-21)17(24)19-15-12(8-14(22)16(15)23)11-5-4-6-18-9-11/h4-7,9,12,14-16,22-23H,3,8H2,1-2H3,(H,19,24)/t12-,14-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.61, 4 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-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 75536064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).