3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

C13H23N3 — CID 105157948

IUPAC3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-3-9-14-12(7-6-11-4-5-11)13-8-10-15-16(13)2/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyFHJNNNBXXBROBV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds7

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

3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 105157948) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID105157948
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-3-9-14-12(7-6-11-4-5-11)13-8-10-15-16(13)2/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyFHJNNNBXXBROBV-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65395621
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 105157948) is 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCC1CC1)c1ccnn1C.
What is the InChIKey of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is FHJNNNBXXBROBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-9-14-12(7-6-11-4-5-11)13-8-10-15-16(13)2/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105157948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).