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

C17H29N3 — CID 64779466

IUPACN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-2-5-14(13-18-15-8-9-15)12-16-10-11-20(19-16)17-6-3-4-7-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3
InChIKeyHDILBGJBEJYYTD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds8

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

N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine (PubChem CID 64779466) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
PubChem CID64779466
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H29N3/c1-2-5-14(13-18-15-8-9-15)12-16-10-11-20(19-16)17-6-3-4-7-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3
InChIKeyHDILBGJBEJYYTD-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine (CID 64779466) is N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
The InChIKey is HDILBGJBEJYYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-5-14(13-18-15-8-9-15)12-16-10-11-20(19-16)17-6-3-4-7-17/h10-11,14-15,17-18H,2-9,12-13H2,1H3.
What are the key properties of N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine?
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 3.71, 8 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]pentyl]cyclopropanamine is sourced from PubChem (CID 64779466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).