4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide

C25H30N4O — CID 66674764

IUPAC4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H30N4O/c26-17-19-11-13-21(14-12-19)25(30)27-23(15-18-7-3-1-4-8-18)24-16-22(28-29-24)20-9-5-2-6-10-20/h1-10,16,19,21,23H,11-15,17,26H2,(H,27,30)(H,28,29)/t19?,21?,23-/m0/s1
InChIKeyOAMKOZSWGNQLBN-IRSIHTCSSA-N
MW402.54 g/mol
LogP4.24
Rot. Bonds7

About 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 66674764) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID66674764
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H30N4O/c26-17-19-11-13-21(14-12-19)25(30)27-23(15-18-7-3-1-4-8-18)24-16-22(28-29-24)20-9-5-2-6-10-20/h1-10,16,19,21,23H,11-15,17,26H2,(H,27,30)(H,28,29)/t19?,21?,23-/m0/s1
InChIKeyOAMKOZSWGNQLBN-IRSIHTCSSA-N
XLogP4.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 66674764) is 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is OAMKOZSWGNQLBN-IRSIHTCSSA-N. The full InChI is InChI=1S/C25H30N4O/c26-17-19-11-13-21(14-12-19)25(30)27-23(15-18-7-3-1-4-8-18)24-16-22(28-29-24)20-9-5-2-6-10-20/h1-10,16,19,21,23H,11-15,17,26H2,(H,27,30)(H,28,29)/t19?,21?,23-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66674764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).