N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine

C15H27N3 — CID 64773206

IUPACN-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-4-5-13(11-16-14-6-7-14)10-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3
InChIKeyNWBCMGBQBJJHLA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.17
Rot. Bonds8

About N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine

N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine (PubChem CID 64773206) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
PubChem CID64773206
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-4-5-13(11-16-14-6-7-14)10-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3
InChIKeyNWBCMGBQBJJHLA-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64779466
N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
CID 65430604
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[2-[(2-methyltetrazol-5-yl)methyl]pentyl]cyclopropanamine
CID 107052904
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine (CID 64773206) is N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The InChIKey is NWBCMGBQBJJHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-13(11-16-14-6-7-14)10-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 64773206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).