1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide

C11H10BrN5O2 — CID 11313329

IUPAC1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
SMILESNC(=O)Nc1cn(-c2cccc(Br)c2)nc1C(N)=O
InChIInChI=1S/C11H10BrN5O2/c12-6-2-1-3-7(4-6)17-5-8(15-11(14)19)9(16-17)10(13)18/h1-5H,(H2,13,18)(H3,14,15,19)
InChIKeyLNTACIZKDFHHDN-UHFFFAOYSA-N
MW324.14 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide

1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide (PubChem CID 11313329) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
PubChem CID11313329
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
SMILESNC(=O)Nc1cn(-c2cccc(Br)c2)nc1C(N)=O
InChIInChI=1S/C11H10BrN5O2/c12-6-2-1-3-7(4-6)17-5-8(15-11(14)19)9(16-17)10(13)18/h1-5H,(H2,13,18)(H3,14,15,19)
InChIKeyLNTACIZKDFHHDN-UHFFFAOYSA-N
XLogP1.22
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide (CID 11313329) is 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide is NC(=O)Nc1cn(-c2cccc(Br)c2)nc1C(N)=O.
What is the InChIKey of 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide?
The InChIKey is LNTACIZKDFHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c12-6-2-1-3-7(4-6)17-5-8(15-11(14)19)9(16-17)10(13)18/h1-5H,(H2,13,18)(H3,14,15,19).
What are the key properties of 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide?
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide has a molecular weight of 324.14 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 11313329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).