[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H24N4O — CID 143766493

IUPAC[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2C[C@@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-11(2)18-4-6-19(7-5-18)15(20)14-8-13(14)12-9-16-17(3)10-12/h9-11,13-14H,4-8H2,1-3H3/t13-,14?/m1/s1
InChIKeyOEJPPFBXSAOLTO-KWCCSABGSA-N
MW276.38 g/mol
LogP1.08
Rot. Bonds3

About [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 143766493) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID143766493
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2C[C@@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-11(2)18-4-6-19(7-5-18)15(20)14-8-13(14)12-9-16-17(3)10-12/h9-11,13-14H,4-8H2,1-3H3/t13-,14?/m1/s1
InChIKeyOEJPPFBXSAOLTO-KWCCSABGSA-N
XLogP1.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-(cyclopropylmethyl)-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 53613462
3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 53625013
N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 56825328
9-(cyclopropylmethyl)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70775064
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
N~1~,N~1~,N~3~-trimethyl-N~3~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-piperidinedicarboxamide
CID 72887361
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 143766493) is [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2C[C@@H]2c2cnn(C)c2)CC1.
What is the InChIKey of [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OEJPPFBXSAOLTO-KWCCSABGSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)18-4-6-19(7-5-18)15(20)14-8-13(14)12-9-16-17(3)10-12/h9-11,13-14H,4-8H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 143766493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).