5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide

C7H13N5O — CID 144824965

IUPAC5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)Nc1n[nH]c(N)c1C(N)=O
InChIInChI=1S/C7H13N5O/c1-3(2)10-7-4(6(9)13)5(8)11-12-7/h3H,1-2H3,(H2,9,13)(H4,8,10,11,12)
InChIKeyHYACMFBXJRWHAI-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.09
Rot. Bonds3

About 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide

5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 144824965) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID144824965
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESCC(C)Nc1n[nH]c(N)c1C(N)=O
InChIInChI=1S/C7H13N5O/c1-3(2)10-7-4(6(9)13)5(8)11-12-7/h3H,1-2H3,(H2,9,13)(H4,8,10,11,12)
InChIKeyHYACMFBXJRWHAI-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-1H-pyrazole-4-carboxamide
CID 58313046
5-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
CID 58431176
3,5-diamino-N-propyl-1H-pyrazole-4-carboxamide
CID 86673177
5-(propylamino)-1H-pyrazole-4-carboxamide
CID 123922299
3,5-diamino-N-methyl-1H-pyrazole-4-carboxamide
CID 129166500
5-(ethylamino)-1H-pyrazole-4-carboxamide
CID 149228874
5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 155383535
5-amino-N-cyclopropyl-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 155383899
3,5-diamino-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 155384100
CID 162381846
CID 162381846
5-(tert-butylamino)-1H-pyrazole-4-carboxamide
CID 166011957
5-amino-3-(methylamino)-N-[(3R)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 169573723

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide (CID 144824965) is 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide is CC(C)Nc1n[nH]c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is HYACMFBXJRWHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3(2)10-7-4(6(9)13)5(8)11-12-7/h3H,1-2H3,(H2,9,13)(H4,8,10,11,12).
What are the key properties of 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide?
5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 144824965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).