4-(4,5-diaminopyrazol-1-yl)butanamide

C7H13N5O — CID 58913950

IUPAC4-(4,5-diaminopyrazol-1-yl)butanamide
SMILESNC(=O)CCCn1ncc(N)c1N
InChIInChI=1S/C7H13N5O/c8-5-4-11-12(7(5)10)3-1-2-6(9)13/h4H,1-3,8,10H2,(H2,9,13)
InChIKeyUIDJKMLVPCSZJK-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.69
Rot. Bonds4

About 4-(4,5-diaminopyrazol-1-yl)butanamide

4-(4,5-diaminopyrazol-1-yl)butanamide (PubChem CID 58913950) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 4-(4,5-diaminopyrazol-1-yl)butanamide.

Molecular Properties

Compound Name4-(4,5-diaminopyrazol-1-yl)butanamide
PubChem CID58913950
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name4-(4,5-diaminopyrazol-1-yl)butanamide
SMILESNC(=O)CCCn1ncc(N)c1N
InChIInChI=1S/C7H13N5O/c8-5-4-11-12(7(5)10)3-1-2-6(9)13/h4H,1-3,8,10H2,(H2,9,13)
InChIKeyUIDJKMLVPCSZJK-UHFFFAOYSA-N
XLogP-0.69
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diaminopyrazol-1-yl)butanamide?
The IUPAC name of 4-(4,5-diaminopyrazol-1-yl)butanamide (CID 58913950) is 4-(4,5-diaminopyrazol-1-yl)butanamide.
What is the SMILES notation for 4-(4,5-diaminopyrazol-1-yl)butanamide?
The canonical SMILES for 4-(4,5-diaminopyrazol-1-yl)butanamide is NC(=O)CCCn1ncc(N)c1N.
What is the InChIKey of 4-(4,5-diaminopyrazol-1-yl)butanamide?
The InChIKey is UIDJKMLVPCSZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-5-4-11-12(7(5)10)3-1-2-6(9)13/h4H,1-3,8,10H2,(H2,9,13).
What are the key properties of 4-(4,5-diaminopyrazol-1-yl)butanamide?
4-(4,5-diaminopyrazol-1-yl)butanamide has a molecular weight of 183.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diaminopyrazol-1-yl)butanamide is sourced from PubChem (CID 58913950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).