N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C18H25N3 — CID 62489650

IUPACN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C18H25N3/c1-13-11-14(12-19-18(2,3)4)5-8-17(13)21-10-9-16(20-21)15-6-7-15/h5,8-11,15,19H,6-7,12H2,1-4H3
InChIKeyLOJRZDHIRXDJCJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.95
Rot. Bonds4

About N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62489650) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID62489650
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C18H25N3/c1-13-11-14(12-19-18(2,3)4)5-8-17(13)21-10-9-16(20-21)15-6-7-15/h5,8-11,15,19H,6-7,12H2,1-4H3
InChIKeyLOJRZDHIRXDJCJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63072495
[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methanol
CID 62488140
N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62491063
N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 81149996
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 62488655
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62122940
3-(3-cyclopropylpyrazol-1-yl)-4-methylbenzaldehyde
CID 105405294
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62487619
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile
CID 114016967
N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62491581

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 62489650) is N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LOJRZDHIRXDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-11-14(12-19-18(2,3)4)5-8-17(13)21-10-9-16(20-21)15-6-7-15/h5,8-11,15,19H,6-7,12H2,1-4H3.
What are the key properties of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62489650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).