cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 138056033

IUPACcis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)Nc2cnn3c2CCCC3)C1
InChIInChI=1S/C14H19N3O3/c18-13(9-4-5-10(7-9)14(19)20)16-11-8-15-17-6-2-1-3-12(11)17/h8-10H,1-7H2,(H,16,18)(H,19,20)/t9-,10+/m0/s1
InChIKeyOADKPWKZOFEHGS-VHSXEESVSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds3

About cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 138056033) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID138056033
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)Nc2cnn3c2CCCC3)C1
InChIInChI=1S/C14H19N3O3/c18-13(9-4-5-10(7-9)14(19)20)16-11-8-15-17-6-2-1-3-12(11)17/h8-10H,1-7H2,(H,16,18)(H,19,20)/t9-,10+/m0/s1
InChIKeyOADKPWKZOFEHGS-VHSXEESVSA-N
XLogP1.66
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
5-piperidin-4-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 167939765
1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
CID 166256426
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
CID 166362554
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020
(4aR,6S,8aR)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 154820275
(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 129354971
3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470632
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 138056033) is cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)Nc2cnn3c2CCCC3)C1.
What is the InChIKey of cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is OADKPWKZOFEHGS-VHSXEESVSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(9-4-5-10(7-9)14(19)20)16-11-8-15-17-6-2-1-3-12(11)17/h8-10H,1-7H2,(H,16,18)(H,19,20)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).