N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C16H18N6O — CID 122590825

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCN(C#N)C2)nn1Cc1ccccn1
InChIInChI=1S/C16H18N6O/c1-12-8-15(16(23)19-14-5-7-21(9-14)11-17)20-22(12)10-13-4-2-3-6-18-13/h2-4,6,8,14H,5,7,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyAZFOKQFMOPFJSH-CQSZACIVSA-N
MW310.36 g/mol
LogP0.92
Rot. Bonds4

About N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 122590825) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID122590825
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCN(C#N)C2)nn1Cc1ccccn1
InChIInChI=1S/C16H18N6O/c1-12-8-15(16(23)19-14-5-7-21(9-14)11-17)20-22(12)10-13-4-2-3-6-18-13/h2-4,6,8,14H,5,7,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyAZFOKQFMOPFJSH-CQSZACIVSA-N
XLogP0.92
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 42606575
N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465584
US10022354, Example 108
CID 121279610
US10022354, Example 36
CID 121279659
N-(1-cyclobutylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 168281604
US10022354, Example 200
CID 132070229
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
Ethyl 4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 5307919
(E)-3-methyl-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6886509

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 122590825) is N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCN(C#N)C2)nn1Cc1ccccn1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is AZFOKQFMOPFJSH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12-8-15(16(23)19-14-5-7-21(9-14)11-17)20-22(12)10-13-4-2-3-6-18-13/h2-4,6,8,14H,5,7,9-10H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-5-methyl-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122590825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).