1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine

C16H23N3 — CID 62904044

IUPAC1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
SMILESCC(C)c1ccc(CNc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)9-17-16-10-18-19(11-16)13(3)4/h5-8,10-13,17H,9H2,1-4H3
InChIKeyNOQVMPKOQZGOJP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds5

About 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine

1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine (PubChem CID 62904044) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
PubChem CID62904044
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
SMILESCC(C)c1ccc(CNc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)9-17-16-10-18-19(11-16)13(3)4/h5-8,10-13,17H,9H2,1-4H3
InChIKeyNOQVMPKOQZGOJP-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
N-[(4-bromo-3-nitrophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62903195
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 63271073
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115749351

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine (CID 62904044) is 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine is CC(C)c1ccc(CNc2cnn(C(C)C)c2)cc1.
What is the InChIKey of 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine?
The InChIKey is NOQVMPKOQZGOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)9-17-16-10-18-19(11-16)13(3)4/h5-8,10-13,17H,9H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine?
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).