N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide

C20H26FN5O — CID 125171218

IUPACN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccccc3F)CC2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C20H26FN5O/c1-14-13-19(26(23-14)15(2)16-7-8-16)22-20(27)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-6,13,15-16H,7-12H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyMPHYUZKFUXMTNC-HNNXBMFYSA-N
MW371.46 g/mol
LogP3.66
Rot. Bonds4

About N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide

N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 125171218) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID125171218
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccccc3F)CC2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C20H26FN5O/c1-14-13-19(26(23-14)15(2)16-7-8-16)22-20(27)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-6,13,15-16H,7-12H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyMPHYUZKFUXMTNC-HNNXBMFYSA-N
XLogP3.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 97275258
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
4-(2-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814201
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 134700003
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706069
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152729
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711510

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 125171218) is N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(c3ccccc3F)CC2)n([C@@H](C)C2CC2)n1.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is MPHYUZKFUXMTNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14-13-19(26(23-14)15(2)16-7-8-16)22-20(27)25-11-9-24(10-12-25)18-6-4-3-5-17(18)21/h3-6,13,15-16H,7-12H2,1-2H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 125171218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).