4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine

C15H22N4 — CID 43122262

IUPAC4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N(C)C(C)C)c1CN
InChIInChI=1S/C15H22N4/c1-11(2)18(4)15-14(10-16)12(3)17-19(15)13-8-6-5-7-9-13/h5-9,11H,10,16H2,1-4H3
InChIKeyFPKLQYZOFBXTCX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.48
Rot. Bonds4

About 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine

4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine (PubChem CID 43122262) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
PubChem CID43122262
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N(C)C(C)C)c1CN
InChIInChI=1S/C15H22N4/c1-11(2)18(4)15-14(10-16)12(3)17-19(15)13-8-6-5-7-9-13/h5-9,11H,10,16H2,1-4H3
InChIKeyFPKLQYZOFBXTCX-UHFFFAOYSA-N
XLogP2.48
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43280900
4-(bromomethyl)-N-butan-2-yl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080054
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
CID 43570330
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080390
4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 43269808
4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 63785720
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-[[4-(chloromethyl)-3-methyl-1-phenylpyrazol-5-yl]-methylamino]propanenitrile
CID 28964428

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine (CID 43122262) is 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N(C)C(C)C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The InChIKey is FPKLQYZOFBXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)18(4)15-14(10-16)12(3)17-19(15)13-8-6-5-7-9-13/h5-9,11H,10,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 43122262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).