1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine

C13H21N5 — CID 122166967

IUPAC1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1nccc1CNc1cnn(CC)c1C
InChIInChI=1S/C13H21N5/c1-4-8-18-12(6-7-15-18)9-14-13-10-16-17(5-2)11(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyPHFBUGJRSWEZEN-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds6

About 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine

1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 122166967) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
PubChem CID122166967
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1nccc1CNc1cnn(CC)c1C
InChIInChI=1S/C13H21N5/c1-4-8-18-12(6-7-15-18)9-14-13-10-16-17(5-2)11(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyPHFBUGJRSWEZEN-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166720
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]benzoic acid
CID 114555287
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine (CID 122166967) is 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine is CCCn1nccc1CNc1cnn(CC)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is PHFBUGJRSWEZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-8-18-12(6-7-15-18)9-14-13-10-16-17(5-2)11(13)3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine?
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122166967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).