N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

C14H23N5O — CID 75434874

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1c(CNc2cnn(CC(C)C)c2)c(C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)8-19-9-12(6-16-19)15-7-13-11(3)17-18(4)14(13)20-5/h6,9-10,15H,7-8H2,1-5H3
InChIKeyRCKAOCKIRWBMPX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 75434874) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID75434874
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCOc1c(CNc2cnn(CC(C)C)c2)c(C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)8-19-9-12(6-16-19)15-7-13-11(3)17-18(4)14(13)20-5/h6,9-10,15H,7-8H2,1-5H3
InChIKeyRCKAOCKIRWBMPX-UHFFFAOYSA-N
XLogP2.20
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 51105243
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 51105022
N-{[1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-yl]methyl}-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122167800
3-methoxy-1-methyl-N-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-4-amine
CID 122167897
3-methoxy-1-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-1H-pyrazol-4-amine
CID 122167934
N-[(5-fluoro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122169146
N-[(1-ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122169276
1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine
CID 126784742
3-methoxy-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964898
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126965572
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 51105024
1-(3,5-dimethylpyrazol-1-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 53539584

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (CID 75434874) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is COc1c(CNc2cnn(CC(C)C)c2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is RCKAOCKIRWBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)8-19-9-12(6-16-19)15-7-13-11(3)17-18(4)14(13)20-5/h6,9-10,15H,7-8H2,1-5H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 75434874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).