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

C18H25N3 — CID 63072495

IUPACN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C18H25N3/c1-13(2)11-19-12-15-4-7-18(14(3)10-15)21-9-8-17(20-21)16-5-6-16/h4,7-10,13,16,19H,5-6,11-12H2,1-3H3
InChIKeyRQBMBXACUKBTTR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.80
Rot. Bonds6

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

N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63072495) 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-1-amine.

Molecular Properties

Compound NameN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63072495
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C18H25N3/c1-13(2)11-19-12-15-4-7-18(14(3)10-15)21-9-8-17(20-21)16-5-6-16/h4,7-10,13,16,19H,5-6,11-12H2,1-3H3
InChIKeyRQBMBXACUKBTTR-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine (CID 63072495) is N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine is Cc1cc(CNCC(C)C)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RQBMBXACUKBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)11-19-12-15-4-7-18(14(3)10-15)21-9-8-17(20-21)16-5-6-16/h4,7-10,13,16,19H,5-6,11-12H2,1-3H3.
What are the key properties of N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.80, 6 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-1-amine is sourced from PubChem (CID 63072495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).