N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide

C11H17N3O3 — CID 110125125

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H17N3O3/c1-6-7(5-14(2)13-6)11(17)12-8-3-4-9(15)10(8)16/h5,8-10,15-16H,3-4H2,1-2H3,(H,12,17)/t8-,9-,10-/m1/s1
InChIKeyHIDFMKNNLJNSPD-OPRDCNLKSA-N
MW239.27 g/mol
LogP-0.66
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 110125125) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID110125125
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H17N3O3/c1-6-7(5-14(2)13-6)11(17)12-8-3-4-9(15)10(8)16/h5,8-10,15-16H,3-4H2,1-2H3,(H,12,17)/t8-,9-,10-/m1/s1
InChIKeyHIDFMKNNLJNSPD-OPRDCNLKSA-N
XLogP-0.66
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
CID 102801920
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
CID 154922378
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 166350680

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide (CID 110125125) is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is HIDFMKNNLJNSPD-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6-7(5-14(2)13-6)11(17)12-8-3-4-9(15)10(8)16/h5,8-10,15-16H,3-4H2,1-2H3,(H,12,17)/t8-,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110125125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).