3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide

C7H13N5O — CID 86673177

IUPAC3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(N)n[nH]c1N
InChIInChI=1S/C7H13N5O/c1-2-3-10-7(13)4-5(8)11-12-6(4)9/h2-3H2,1H3,(H,10,13)(H5,8,9,11,12)
InChIKeyFPDIIIHDAHUILB-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.29
Rot. Bonds3

About 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide

3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 86673177) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID86673177
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(N)n[nH]c1N
InChIInChI=1S/C7H13N5O/c1-2-3-10-7(13)4-5(8)11-12-6(4)9/h2-3H2,1H3,(H,10,13)(H5,8,9,11,12)
InChIKeyFPDIIIHDAHUILB-UHFFFAOYSA-N
XLogP-0.29
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide (CID 86673177) is 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide is CCCNC(=O)c1c(N)n[nH]c1N.
What is the InChIKey of 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is FPDIIIHDAHUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-3-10-7(13)4-5(8)11-12-6(4)9/h2-3H2,1H3,(H,10,13)(H5,8,9,11,12).
What are the key properties of 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide?
3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86673177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).