N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide

C18H22N4O2 — CID 94806257

IUPACN-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1c([C@H](C)NC(=O)CNC(=O)C2CC2)cnn1-c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-12(21-17(23)11-19-18(24)14-8-9-14)16-10-20-22(13(16)2)15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23)/t12-/m0/s1
InChIKeyQUVSYZHLBSHNAH-LBPRGKRZSA-N
MW326.40 g/mol
LogP1.88
Rot. Bonds6

About N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 94806257) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID94806257
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1c([C@H](C)NC(=O)CNC(=O)C2CC2)cnn1-c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-12(21-17(23)11-19-18(24)14-8-9-14)16-10-20-22(13(16)2)15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23)/t12-/m0/s1
InChIKeyQUVSYZHLBSHNAH-LBPRGKRZSA-N
XLogP1.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 94806257) is N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1c([C@H](C)NC(=O)CNC(=O)C2CC2)cnn1-c1ccccc1.
What is the InChIKey of N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is QUVSYZHLBSHNAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(21-17(23)11-19-18(24)14-8-9-14)16-10-20-22(13(16)2)15-6-4-3-5-7-15/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 94806257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).