N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

C15H25N5 — CID 75434833

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2cnn(C(C)(C)C)c2)cn1
InChIInChI=1S/C15H25N5/c1-12(2)9-19-11-14(8-17-19)16-6-13-7-18-20(10-13)15(3,4)5/h7-8,10-12,16H,6,9H2,1-5H3
InChIKeyCTPXQTCTGPOIBZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.10
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 75434833) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID75434833
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2cnn(C(C)(C)C)c2)cn1
InChIInChI=1S/C15H25N5/c1-12(2)9-19-11-14(8-17-19)16-6-13-7-18-20(10-13)15(3,4)5/h7-8,10-12,16H,6,9H2,1-5H3
InChIKeyCTPXQTCTGPOIBZ-UHFFFAOYSA-N
XLogP3.10
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (CID 75434833) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is CC(C)Cn1cc(NCc2cnn(C(C)(C)C)c2)cn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is CTPXQTCTGPOIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-12(2)9-19-11-14(8-17-19)16-6-13-7-18-20(10-13)15(3,4)5/h7-8,10-12,16H,6,9H2,1-5H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 75434833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).