5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide

C8H11BrN4O — CID 162380629

IUPAC5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCC2CC2)n[nH]c1Br
InChIInChI=1S/C8H11BrN4O/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4/h4H,1-3H2,(H2,10,14)(H2,11,12,13)
InChIKeyUGIPTJVPSJIVNY-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.09
Rot. Bonds4

About 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide

5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 162380629) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
PubChem CID162380629
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCC2CC2)n[nH]c1Br
InChIInChI=1S/C8H11BrN4O/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4/h4H,1-3H2,(H2,10,14)(H2,11,12,13)
InChIKeyUGIPTJVPSJIVNY-UHFFFAOYSA-N
XLogP1.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708
5-bromo-3-(2-hydroxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380724
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide;ethane;pyrrolidine
CID 162381350
5-amino-3-(propan-2-ylamino)-1H-pyrazole-4-carboxamide
CID 144824965
5-amino-3-(ethylamino)-1H-pyrazole-4-carboxamide
CID 144926776
5-bromo-3-(2-methoxyethylamino)-1H-pyrazole-4-carboxamide
CID 162380815
5-bromo-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxamide
CID 162380892
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbaldehyde
CID 162381398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide (CID 162380629) is 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCC2CC2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is UGIPTJVPSJIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c9-6-5(7(10)14)8(13-12-6)11-3-4-1-2-4/h4H,1-3H2,(H2,10,14)(H2,11,12,13).
What are the key properties of 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide?
5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 259.11 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162380629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).