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

C13H19Cl2N5O — CID 119871220

IUPAC3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(14)6-13(19)17-12-7-16-18(9-12)8-11-2-4-15-5-3-11;;/h2-5,7,9-10H,6,8,14H2,1H3,(H,17,19);2*1H
InChIKeyTUTDVFRLXZAJGX-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.85
Rot. Bonds5

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

3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride (PubChem CID 119871220) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
PubChem CID119871220
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC Name3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(14)6-13(19)17-12-7-16-18(9-12)8-11-2-4-15-5-3-11;;/h2-5,7,9-10H,6,8,14H2,1H3,(H,17,19);2*1H
InChIKeyTUTDVFRLXZAJGX-UHFFFAOYSA-N
XLogP1.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 119877317
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride (CID 119871220) is 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1cnn(Cc2ccncc2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride?
The InChIKey is TUTDVFRLXZAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-10(14)6-13(19)17-12-7-16-18(9-12)8-11-2-4-15-5-3-11;;/h2-5,7,9-10H,6,8,14H2,1H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride?
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.85, 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]butanamide;dihydrochloride is sourced from PubChem (CID 119871220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).