(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide

C17H21N5O — CID 138010246

IUPAC(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@@H]1C[C@@H]2CC(C(=O)Nc3cnn(Cc4cccnc4)c3)C[C@@H]21
InChIInChI=1S/C17H21N5O/c18-16-6-12-4-13(5-15(12)16)17(23)21-14-8-20-22(10-14)9-11-2-1-3-19-7-11/h1-3,7-8,10,12-13,15-16H,4-6,9,18H2,(H,21,23)/t12-,13?,15-,16+/m0/s1
InChIKeyICUZWSMQWFAQTQ-WYQXTGKHSA-N
MW311.39 g/mol
LogP1.64
Rot. Bonds4

About (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide

(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138010246) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138010246
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@@H]1C[C@@H]2CC(C(=O)Nc3cnn(Cc4cccnc4)c3)C[C@@H]21
InChIInChI=1S/C17H21N5O/c18-16-6-12-4-13(5-15(12)16)17(23)21-14-8-20-22(10-14)9-11-2-1-3-19-7-11/h1-3,7-8,10,12-13,15-16H,4-6,9,18H2,(H,21,23)/t12-,13?,15-,16+/m0/s1
InChIKeyICUZWSMQWFAQTQ-WYQXTGKHSA-N
XLogP1.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 138010255
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 167809757
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989928
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
CID 120788956

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide (CID 138010246) is (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide is N[C@@H]1C[C@@H]2CC(C(=O)Nc3cnn(Cc4cccnc4)c3)C[C@@H]21.
What is the InChIKey of (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is ICUZWSMQWFAQTQ-WYQXTGKHSA-N. The full InChI is InChI=1S/C17H21N5O/c18-16-6-12-4-13(5-15(12)16)17(23)21-14-8-20-22(10-14)9-11-2-1-3-19-7-11/h1-3,7-8,10,12-13,15-16H,4-6,9,18H2,(H,21,23)/t12-,13?,15-,16+/m0/s1.
What are the key properties of (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide?
(1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-6-amino-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138010246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).