N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

C18H25N3 — CID 66440894

IUPACN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2ccccc2)c1C1CC1
InChIInChI=1S/C18H25N3/c1-18(2,3)19-11-16-12-20-21(17(16)15-9-10-15)13-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11,13H2,1-3H3
InChIKeyNYYFTDVGPPRHLA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.70
Rot. Bonds5

About N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 66440894) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID66440894
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnn(Cc2ccccc2)c1C1CC1
InChIInChI=1S/C18H25N3/c1-18(2,3)19-11-16-12-20-21(17(16)15-9-10-15)13-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11,13H2,1-3H3
InChIKeyNYYFTDVGPPRHLA-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (CID 66440894) is N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnn(Cc2ccccc2)c1C1CC1.
What is the InChIKey of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is NYYFTDVGPPRHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)19-11-16-12-20-21(17(16)15-9-10-15)13-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11,13H2,1-3H3.
What are the key properties of N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66440894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).