1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C16H29N3 — CID 107191671

IUPAC1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCCC1C
InChIInChI=1S/C16H29N3/c1-4-10-17-16(15-7-5-6-13(15)2)9-8-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3
InChIKeyUYKCIZUQNTXCNG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds7

About 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 107191671) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID107191671
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCCC1C
InChIInChI=1S/C16H29N3/c1-4-10-17-16(15-7-5-6-13(15)2)9-8-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3
InChIKeyUYKCIZUQNTXCNG-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030028
2-cyclopentyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014821
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 107191671) is 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)C1CCCC1C.
What is the InChIKey of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is UYKCIZUQNTXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-17-16(15-7-5-6-13(15)2)9-8-14-11-18-19(3)12-14/h11-13,15-17H,4-10H2,1-3H3.
What are the key properties of 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107191671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).