N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine

C16H29N3 — CID 43435522

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2cnn(C)c2C)CC1
InChIInChI=1S/C16H29N3/c1-5-6-14-7-9-15(10-8-14)18-12(2)16-11-17-19(4)13(16)3/h11-12,14-15,18H,5-10H2,1-4H3
InChIKeyQXAFRKALAHGHDA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 43435522) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID43435522
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2cnn(C)c2C)CC1
InChIInChI=1S/C16H29N3/c1-5-6-14-7-9-15(10-8-14)18-12(2)16-11-17-19(4)13(16)3/h11-12,14-15,18H,5-10H2,1-4H3
InChIKeyQXAFRKALAHGHDA-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,1-dioxothian-4-amine
CID 43752008
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
CID 103981520
[3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43435521
1-cyclopropyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyrrolidin-3-amine
CID 115709368
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 79584820

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine (CID 43435522) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)c2cnn(C)c2C)CC1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is QXAFRKALAHGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-6-14-7-9-15(10-8-14)18-12(2)16-11-17-19(4)13(16)3/h11-12,14-15,18H,5-10H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43435522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).