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

C12H15N5O — CID 119871229

IUPAC3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
SMILESNCCC(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C12H15N5O/c13-4-1-12(18)16-11-7-15-17(9-11)8-10-2-5-14-6-3-10/h2-3,5-7,9H,1,4,8,13H2,(H,16,18)
InChIKeyPSQSVVPGEDVFTH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.61
Rot. Bonds5

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

3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 119871229) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID119871229
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
SMILESNCCC(=O)Nc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C12H15N5O/c13-4-1-12(18)16-11-7-15-17(9-11)8-10-2-5-14-6-3-10/h2-3,5-7,9H,1,4,8,13H2,(H,16,18)
InChIKeyPSQSVVPGEDVFTH-UHFFFAOYSA-N
XLogP0.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide (CID 119871229) is 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide is NCCC(=O)Nc1cnn(Cc2ccncc2)c1.
What is the InChIKey of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is PSQSVVPGEDVFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-4-1-12(18)16-11-7-15-17(9-11)8-10-2-5-14-6-3-10/h2-3,5-7,9H,1,4,8,13H2,(H,16,18).
What are the key properties of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide?
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 245.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 119871229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).