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

C14H23N5 — CID 122167409

IUPACN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCC(C)Cn1nccc1CNc1ccnn1C(C)C
InChIInChI=1S/C14H23N5/c1-11(2)10-18-13(5-7-16-18)9-15-14-6-8-17-19(14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLCVARGDJIFCWNW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds6

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

N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine (PubChem CID 122167409) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
PubChem CID122167409
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCC(C)Cn1nccc1CNc1ccnn1C(C)C
InChIInChI=1S/C14H23N5/c1-11(2)10-18-13(5-7-16-18)9-15-14-6-8-17-19(14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLCVARGDJIFCWNW-UHFFFAOYSA-N
XLogP2.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
2-[[(2-propan-2-ylpyrazol-3-yl)amino]methyl]phenol
CID 122168791
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
CID 126966578
2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965274
2-chloro-5-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]benzoic acid
CID 166267775
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126965807
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808
N',N'-dimethyl-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965686
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 122166141
2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine
CID 71916696

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine (CID 122167409) is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine is CC(C)Cn1nccc1CNc1ccnn1C(C)C.
What is the InChIKey of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
The InChIKey is LCVARGDJIFCWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)10-18-13(5-7-16-18)9-15-14-6-8-17-19(14)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine?
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine has a molecular weight of 261.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).