N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

C15H15FN6O — CID 166362384

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(CN)c(NC(=O)c2cc(-c3ccccc3F)n[nH]2)n1
InChIInChI=1S/C15H15FN6O/c1-22-8-9(7-17)14(21-22)18-15(23)13-6-12(19-20-13)10-4-2-3-5-11(10)16/h2-6,8H,7,17H2,1H3,(H,19,20)(H,18,21,23)
InChIKeyHHXRDEHVSJCIRL-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.66
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 166362384) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID166362384
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(CN)c(NC(=O)c2cc(-c3ccccc3F)n[nH]2)n1
InChIInChI=1S/C15H15FN6O/c1-22-8-9(7-17)14(21-22)18-15(23)13-6-12(19-20-13)10-4-2-3-5-11(10)16/h2-6,8H,7,17H2,1H3,(H,19,20)(H,18,21,23)
InChIKeyHHXRDEHVSJCIRL-UHFFFAOYSA-N
XLogP1.66
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 166362384) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is Cn1cc(CN)c(NC(=O)c2cc(-c3ccccc3F)n[nH]2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HHXRDEHVSJCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-22-8-9(7-17)14(21-22)18-15(23)13-6-12(19-20-13)10-4-2-3-5-11(10)16/h2-6,8H,7,17H2,1H3,(H,19,20)(H,18,21,23).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166362384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).