N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine

C13H23N3 — CID 115929501

IUPACN-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine
SMILESCCn1nc(C)c(NC(C)CC2CC2)c1C
InChIInChI=1S/C13H23N3/c1-5-16-11(4)13(10(3)15-16)14-9(2)8-12-6-7-12/h9,12,14H,5-8H2,1-4H3
InChIKeyCKHVLGCYTBUCNP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.12
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine

N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine (PubChem CID 115929501) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine
PubChem CID115929501
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine
SMILESCCn1nc(C)c(NC(C)CC2CC2)c1C
InChIInChI=1S/C13H23N3/c1-5-16-11(4)13(10(3)15-16)14-9(2)8-12-6-7-12/h9,12,14H,5-8H2,1-4H3
InChIKeyCKHVLGCYTBUCNP-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
CID 79224989
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717464
4-(1-chloroethyl)-1-(cyclopropylmethyl)-3,5-dimethylpyrazole
CID 62731294
N-(1-cyclopropylpropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208992
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62731910
1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
CID 43204532
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778780

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine (CID 115929501) is N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine is CCn1nc(C)c(NC(C)CC2CC2)c1C.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine?
The InChIKey is CKHVLGCYTBUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16-11(4)13(10(3)15-16)14-9(2)8-12-6-7-12/h9,12,14H,5-8H2,1-4H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine?
N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115929501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).