N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine

C14H25N3 — CID 62724831

IUPACN-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1cnn(C)c1
InChIInChI=1S/C14H25N3/c1-4-7-14(2,11-15-13-5-6-13)8-12-9-16-17(3)10-12/h9-10,13,15H,4-8,11H2,1-3H3
InChIKeyCWWVYJHSMZENOX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds7

About N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine

N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine (PubChem CID 62724831) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
PubChem CID62724831
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1cnn(C)c1
InChIInChI=1S/C14H25N3/c1-4-7-14(2,11-15-13-5-6-13)8-12-9-16-17(3)10-12/h9-10,13,15H,4-8,11H2,1-3H3
InChIKeyCWWVYJHSMZENOX-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
N-[2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
CID 103014322
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine (CID 62724831) is N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine is CCCC(C)(CNC1CC1)Cc1cnn(C)c1.
What is the InChIKey of N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine?
The InChIKey is CWWVYJHSMZENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-7-14(2,11-15-13-5-6-13)8-12-9-16-17(3)10-12/h9-10,13,15H,4-8,11H2,1-3H3.
What are the key properties of N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine?
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 62724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).