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

C13H21N5 — CID 122167620

IUPAC1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cc(CNc2cnn(CC)c2)c(C)n1
InChIInChI=1S/C13H21N5/c1-4-6-18-9-12(11(3)16-18)7-14-13-8-15-17(5-2)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyOAESWRXUMMVVRQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds6

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

1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 122167620) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID122167620
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cc(CNc2cnn(CC)c2)c(C)n1
InChIInChI=1S/C13H21N5/c1-4-6-18-9-12(11(3)16-18)7-14-13-8-15-17(5-2)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyOAESWRXUMMVVRQ-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

N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-ethyl-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122167464
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122169134
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 122167620) is 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine is CCCn1cc(CNc2cnn(CC)c2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is OAESWRXUMMVVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-6-18-9-12(11(3)16-18)7-14-13-8-15-17(5-2)10-13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine?
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-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-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122167620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).