N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

C18H29N3 — CID 83150502

IUPACN-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1ccn(C2CCCC2)n1)C1CC1
InChIInChI=1S/C18H29N3/c1-18(14-6-7-14,13-19-15-8-9-15)12-16-10-11-21(20-16)17-4-2-3-5-17/h10-11,14-15,17,19H,2-9,12-13H2,1H3
InChIKeyLPOIENYEPHGPFT-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (PubChem CID 83150502) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
PubChem CID83150502
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1ccn(C2CCCC2)n1)C1CC1
InChIInChI=1S/C18H29N3/c1-18(14-6-7-14,13-19-15-8-9-15)12-16-10-11-21(20-16)17-4-2-3-5-17/h10-11,14-15,17,19H,2-9,12-13H2,1H3
InChIKeyLPOIENYEPHGPFT-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 64777118
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641074
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (CID 83150502) is N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)(Cc1ccn(C2CCCC2)n1)C1CC1.
What is the InChIKey of N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The InChIKey is LPOIENYEPHGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(14-6-7-14,13-19-15-8-9-15)12-16-10-11-21(20-16)17-4-2-3-5-17/h10-11,14-15,17,19H,2-9,12-13H2,1H3.
What are the key properties of N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 83150502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).