1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C13H21N5 — CID 122166991

IUPAC1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H21N5/c1-4-17-6-5-13(16-17)9-14-7-12-8-15-18(10-12)11(2)3/h5-6,8,10-11,14H,4,7,9H2,1-3H3
InChIKeyABCSDTRWANCKPR-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.97
Rot. Bonds6

About 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 122166991) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID122166991
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H21N5/c1-4-17-6-5-13(16-17)9-14-7-12-8-15-18(10-12)11(2)3/h5-6,8,10-11,14H,4,7,9H2,1-3H3
InChIKeyABCSDTRWANCKPR-UHFFFAOYSA-N
XLogP1.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167004
4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
CID 19627503

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 122166991) is 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CCn1ccc(CNCc2cnn(C(C)C)c2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ABCSDTRWANCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-17-6-5-13(16-17)9-14-7-12-8-15-18(10-12)11(2)3/h5-6,8,10-11,14H,4,7,9H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 247.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122166991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).