N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

C14H25N3 — CID 62731006

IUPACN-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(CC2CC2)c1C
InChIInChI=1S/C14H25N3/c1-5-8-15-10(2)14-11(3)16-17(12(14)4)9-13-6-7-13/h10,13,15H,5-9H2,1-4H3
InChIKeyMTNWSTKUZXLWNH-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds6

About N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62731006) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62731006
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(CC2CC2)c1C
InChIInChI=1S/C14H25N3/c1-5-8-15-10(2)14-11(3)16-17(12(14)4)9-13-6-7-13/h10,13,15H,5-9H2,1-4H3
InChIKeyMTNWSTKUZXLWNH-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62731910
1-[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65463065
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
4-(1-chloroethyl)-1-(cyclopropylmethyl)-3,5-dimethylpyrazole
CID 62731294
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717464
1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62729112
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461
N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706428
N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 107053678

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (CID 62731006) is N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1c(C)nn(CC2CC2)c1C.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is MTNWSTKUZXLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-8-15-10(2)14-11(3)16-17(12(14)4)9-13-6-7-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62731006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).