4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C13H17N5O — CID 63103234

IUPAC4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H17N5O/c1-9(2)18(8-10-5-3-4-6-15-10)13(19)12-11(14)7-16-17-12/h3-7,9H,8,14H2,1-2H3,(H,16,17)
InChIKeyRZTUFOZDTRIGLF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103234) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID63103234
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H17N5O/c1-9(2)18(8-10-5-3-4-6-15-10)13(19)12-11(14)7-16-17-12/h3-7,9H,8,14H2,1-2H3,(H,16,17)
InChIKeyRZTUFOZDTRIGLF-UHFFFAOYSA-N
XLogP1.44
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61109144
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CID 60956029
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
CID 63104123
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 116676557
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60959944
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 63103234) is 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is CC(C)N(Cc1ccccn1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RZTUFOZDTRIGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)18(8-10-5-3-4-6-15-10)13(19)12-11(14)7-16-17-12/h3-7,9H,8,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).