N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride

C12H20ClN5 — CID 126965497

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
SMILESCCn1cc(CNc2c(C)cnn2C)c(C)n1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-5-17-8-11(10(3)15-17)7-13-12-9(2)6-14-16(12)4;/h6,8,13H,5,7H2,1-4H3;1H
InChIKeySXSCJJRTZBKNNZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.29
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride (PubChem CID 126965497) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
PubChem CID126965497
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
SMILESCCn1cc(CNc2c(C)cnn2C)c(C)n1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-5-17-8-11(10(3)15-17)7-13-12-9(2)6-14-16(12)4;/h6,8,13H,5,7H2,1-4H3;1H
InChIKeySXSCJJRTZBKNNZ-UHFFFAOYSA-N
XLogP2.29
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 164664743
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126965460
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-5-amine
CID 122166580
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209589
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167620
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167177

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride (CID 126965497) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride is CCn1cc(CNc2c(C)cnn2C)c(C)n1.Cl.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride?
The InChIKey is SXSCJJRTZBKNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.ClH/c1-5-17-8-11(10(3)15-17)7-13-12-9(2)6-14-16(12)4;/h6,8,13H,5,7H2,1-4H3;1H.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126965497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).