trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

C19H24N4O2 — CID 97081561

IUPACtrans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c24-19(18-12-17(18)15-4-2-1-3-5-15)21-16-13-20-23(14-16)7-6-22-8-10-25-11-9-22/h1-5,13-14,17-18H,6-12H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyHDPQVYLASRXOEC-MSOLQXFVSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds6

About trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 97081561) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID97081561
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametrans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c24-19(18-12-17(18)15-4-2-1-3-5-15)21-16-13-20-23(14-16)7-6-22-8-10-25-11-9-22/h1-5,13-14,17-18H,6-12H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyHDPQVYLASRXOEC-MSOLQXFVSA-N
XLogP1.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19408858
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
N-(2-morpholin-4-ylethyl)-4-[(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclopropyl]benzamide
CID 174090422
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 56725277
1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 138992785
N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849064
cis-(1S,2R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698983
cis-(1R,2S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698986

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 97081561) is trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HDPQVYLASRXOEC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(18-12-17(18)15-4-2-1-3-5-15)21-16-13-20-23(14-16)7-6-22-8-10-25-11-9-22/h1-5,13-14,17-18H,6-12H2,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 97081561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).