1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine

C15H21N3O — CID 43204438

IUPAC1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H21N3O/c1-9-7-13(9)14-6-5-12(19-14)8-16-15-10(2)17-18(4)11(15)3/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyNEGMHQLNOBUFCT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.37
Rot. Bonds4

About 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine

1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine (PubChem CID 43204438) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine
PubChem CID43204438
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H21N3O/c1-9-7-13(9)14-6-5-12(19-14)8-16-15-10(2)17-18(4)11(15)3/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyNEGMHQLNOBUFCT-UHFFFAOYSA-N
XLogP3.37
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine
CID 54921369
N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine
CID 94823229
(4R,5S)-1-methyl-4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129339635
(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129330109
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694294
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2-morpholin-4-ylpyridin-3-amine
CID 99704978

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine (CID 43204438) is 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(C2CC2C)o1.
What is the InChIKey of 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine?
The InChIKey is NEGMHQLNOBUFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-7-13(9)14-6-5-12(19-14)8-16-15-10(2)17-18(4)11(15)3/h5-6,9,13,16H,7-8H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 43204438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).