N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine

C13H21N5 — CID 122166720

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2ccnn2CC)c(C)n1
InChIInChI=1S/C13H21N5/c1-4-8-17-10-13(11(3)16-17)14-9-12-6-7-15-18(12)5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyMBMTYQHKEMXVLJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine

N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine (PubChem CID 122166720) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
PubChem CID122166720
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2ccnn2CC)c(C)n1
InChIInChI=1S/C13H21N5/c1-4-8-17-10-13(11(3)16-17)14-9-12-6-7-15-18(12)5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyMBMTYQHKEMXVLJ-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-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpyridin-3-amine
CID 115762824
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965532
3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylaniline
CID 115762690

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine (CID 122166720) is N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine is CCCn1cc(NCc2ccnn2CC)c(C)n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is MBMTYQHKEMXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-8-17-10-13(11(3)16-17)14-9-12-6-7-15-18(12)5-2/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-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 N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 122166720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).