N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C16H27N5 — CID 60933441

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H27N5/c1-11(2)21-13(4)15(12(3)19-21)17-8-14-9-18-20(10-14)16(5,6)7/h9-11,17H,8H2,1-7H3
InChIKeyLJVOWMLQTXANNQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.64
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 60933441) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID60933441
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H27N5/c1-11(2)21-13(4)15(12(3)19-21)17-8-14-9-18-20(10-14)16(5,6)7/h9-11,17H,8H2,1-7H3
InChIKeyLJVOWMLQTXANNQ-UHFFFAOYSA-N
XLogP3.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
CID 62760482
4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866495
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82815618
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-chloro-6-methylaniline
CID 66252439
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 66472413
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 43769158
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-chloroaniline
CID 43762334
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 60933441) is N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is LJVOWMLQTXANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)21-13(4)15(12(3)19-21)17-8-14-9-18-20(10-14)16(5,6)7/h9-11,17H,8H2,1-7H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 289.43 g/mol, XLogP of 3.64, 4 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]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60933441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).