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

C7H11N5O — CID 155384100

IUPAC3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNc1n[nH]c(N)c1C(=O)NC1CC1
InChIInChI=1S/C7H11N5O/c8-5-4(6(9)12-11-5)7(13)10-3-1-2-3/h3H,1-2H2,(H,10,13)(H5,8,9,11,12)
InChIKeyAAMMSXOEKCUWMB-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.53
Rot. Bonds2

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

3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 155384100) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID155384100
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNc1n[nH]c(N)c1C(=O)NC1CC1
InChIInChI=1S/C7H11N5O/c8-5-4(6(9)12-11-5)7(13)10-3-1-2-3/h3H,1-2H2,(H,10,13)(H5,8,9,11,12)
InChIKeyAAMMSXOEKCUWMB-UHFFFAOYSA-N
XLogP-0.53
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.53
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-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide (CID 155384100) is 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide is Nc1n[nH]c(N)c1C(=O)NC1CC1.
What is the InChIKey of 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is AAMMSXOEKCUWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-5-4(6(9)12-11-5)7(13)10-3-1-2-3/h3H,1-2H2,(H,10,13)(H5,8,9,11,12).
What are the key properties of 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide?
3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155384100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).