4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide

C13H17N5O — CID 119871291

IUPAC4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
SMILESNCCCC(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C13H17N5O/c14-6-1-2-13(19)16-12-5-9-18(17-12)10-11-3-7-15-8-4-11/h3-5,7-9H,1-2,6,10,14H2,(H,16,17,19)
InChIKeyXGBNXQGCKQYCCG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.00
Rot. Bonds6

About 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide

4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide (PubChem CID 119871291) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
PubChem CID119871291
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
SMILESNCCCC(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C13H17N5O/c14-6-1-2-13(19)16-12-5-9-18(17-12)10-11-3-7-15-8-4-11/h3-5,7-9H,1-2,6,10,14H2,(H,16,17,19)
InChIKeyXGBNXQGCKQYCCG-UHFFFAOYSA-N
XLogP1.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]oxane-4-carboxamide;dihydrochloride
CID 120940634
carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163734414
1-(2,5-dichlorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 51130131
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide (CID 119871291) is 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide is NCCCC(=O)Nc1ccn(Cc2ccncc2)n1.
What is the InChIKey of 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide?
The InChIKey is XGBNXQGCKQYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-6-1-2-13(19)16-12-5-9-18(17-12)10-11-3-7-15-8-4-11/h3-5,7-9H,1-2,6,10,14H2,(H,16,17,19).
What are the key properties of 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide?
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 119871291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).