1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine

C14H23N5 — CID 43749571

IUPAC1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
SMILESCc1[nH]ncc1CNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H23N5/c1-11-12(8-17-18-11)7-16-13(14(2,3)4)9-19-6-5-15-10-19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18)
InChIKeyWNSVFANDODZSOF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds5

About 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine

1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine (PubChem CID 43749571) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
PubChem CID43749571
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine
SMILESCc1[nH]ncc1CNC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H23N5/c1-11-12(8-17-18-11)7-16-13(14(2,3)4)9-19-6-5-15-10-19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18)
InChIKeyWNSVFANDODZSOF-UHFFFAOYSA-N
XLogP2.12
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine with MolForge

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Related Compounds

1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
N-[(2-bromo-4-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 115556703
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
N-[(6-chloroquinolin-2-yl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 131895500
1-imidazol-1-yl-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-2-amine
CID 131951878
N-[(2,6-difluoro-3-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine;formic acid
CID 154912364
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(1H-indazol-5-yl)urea
CID 97282072

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine (CID 43749571) is 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine is Cc1[nH]ncc1CNC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is WNSVFANDODZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-12(8-17-18-11)7-16-13(14(2,3)4)9-19-6-5-15-10-19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18).
What are the key properties of 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine?
1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 43749571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).