N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

C16H19BrN4O — CID 119614921

IUPACN-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN4O/c1-10-14(16(22)20-15(8-18)11-2-3-11)9-19-21(10)13-6-4-12(17)5-7-13/h4-7,9,11,15H,2-3,8,18H2,1H3,(H,20,22)
InChIKeyNAHUQBUCMKTHTB-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.41
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 119614921) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID119614921
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN4O/c1-10-14(16(22)20-15(8-18)11-2-3-11)9-19-21(10)13-6-4-12(17)5-7-13/h4-7,9,11,15H,2-3,8,18H2,1H3,(H,20,22)
InChIKeyNAHUQBUCMKTHTB-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (CID 119614921) is N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is NAHUQBUCMKTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10-14(16(22)20-15(8-18)11-2-3-11)9-19-21(10)13-6-4-12(17)5-7-13/h4-7,9,11,15H,2-3,8,18H2,1H3,(H,20,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119614921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).