3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine

C15H25N5 — CID 122167041

IUPAC3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(CC(C)C)cc1NCc1cnn(C(C)C)c1
InChIInChI=1S/C15H25N5/c1-11(2)8-19-10-15(13(5)18-19)16-6-14-7-17-20(9-14)12(3)4/h7,9-12,16H,6,8H2,1-5H3
InChIKeyRQYLTSPWVJCFHZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.24
Rot. Bonds6

About 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine

3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 122167041) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID122167041
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(CC(C)C)cc1NCc1cnn(C(C)C)c1
InChIInChI=1S/C15H25N5/c1-11(2)8-19-10-15(13(5)18-19)16-6-14-7-17-20(9-14)12(3)4/h7,9-12,16H,6,8H2,1-5H3
InChIKeyRQYLTSPWVJCFHZ-UHFFFAOYSA-N
XLogP3.24
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122169227
N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 72872121

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 122167041) is 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(CC(C)C)cc1NCc1cnn(C(C)C)c1.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is RQYLTSPWVJCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11(2)8-19-10-15(13(5)18-19)16-6-14-7-17-20(9-14)12(3)4/h7,9-12,16H,6,8H2,1-5H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122167041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).