N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C14H25N3 — CID 62703899

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1CCC(C(C)C)CC1
InChIInChI=1S/C14H25N3/c1-10(2)12-4-6-14(7-5-12)15-8-13-9-16-17-11(13)3/h9-10,12,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyPQYZLYDIAPSXPD-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62703899) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62703899
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1[nH]ncc1CNC1CCC(C(C)C)CC1
InChIInChI=1S/C14H25N3/c1-10(2)12-4-6-14(7-5-12)15-8-13-9-16-17-11(13)3/h9-10,12,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyPQYZLYDIAPSXPD-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62703899) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is Cc1[nH]ncc1CNC1CCC(C(C)C)CC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PQYZLYDIAPSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)12-4-6-14(7-5-12)15-8-13-9-16-17-11(13)3/h9-10,12,14-15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 235.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62703899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).