N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine

C16H27N3 — CID 64777118

IUPACN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H27N3/c1-2-13(12-17-14-7-8-14)11-15-9-10-19(18-15)16-5-3-4-6-16/h9-10,13-14,16-17H,2-8,11-12H2,1H3
InChIKeyPUURENIMMKVAJR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.32
Rot. Bonds7

About N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine

N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine (PubChem CID 64777118) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
PubChem CID64777118
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H27N3/c1-2-13(12-17-14-7-8-14)11-15-9-10-19(18-15)16-5-3-4-6-16/h9-10,13-14,16-17H,2-8,11-12H2,1H3
InChIKeyPUURENIMMKVAJR-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.32
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-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83138326

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine (CID 64777118) is N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine is CCC(CNC1CC1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The InChIKey is PUURENIMMKVAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-13(12-17-14-7-8-14)11-15-9-10-19(18-15)16-5-3-4-6-16/h9-10,13-14,16-17H,2-8,11-12H2,1H3.
What are the key properties of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 64777118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).