4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

C18H24N4 — CID 71553658

IUPAC4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C18H24N4/c19-14-5-7-15(8-6-14)21-18-11-16(18)12-1-3-13(4-2-12)17-9-10-20-22-17/h1-4,9-10,14-16,18,21H,5-8,11,19H2,(H,20,22)/t14?,15?,16-,18+/m1/s1
InChIKeyQMOFHXLCMXQBLM-IOTAOYMUSA-N
MW296.42 g/mol
LogP2.79
Rot. Bonds4

About 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 71553658) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID71553658
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C18H24N4/c19-14-5-7-15(8-6-14)21-18-11-16(18)12-1-3-13(4-2-12)17-9-10-20-22-17/h1-4,9-10,14-16,18,21H,5-8,11,19H2,(H,20,22)/t14?,15?,16-,18+/m1/s1
InChIKeyQMOFHXLCMXQBLM-IOTAOYMUSA-N
XLogP2.79
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (CID 71553658) is 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is QMOFHXLCMXQBLM-IOTAOYMUSA-N. The full InChI is InChI=1S/C18H24N4/c19-14-5-7-15(8-6-14)21-18-11-16(18)12-1-3-13(4-2-12)17-9-10-20-22-17/h1-4,9-10,14-16,18,21H,5-8,11,19H2,(H,20,22)/t14?,15?,16-,18+/m1/s1.
What are the key properties of 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,2R)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71553658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).