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

C14H21N3O — CID 43644966

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)CCc1ccco1
InChIInChI=1S/C14H21N3O/c1-10(6-7-13-5-4-8-18-13)15-9-14-11(2)16-17-12(14)3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyQTWXSFGXTCWMNI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds6

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43644966) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43644966
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)CCc1ccco1
InChIInChI=1S/C14H21N3O/c1-10(6-7-13-5-4-8-18-13)15-9-14-11(2)16-17-12(14)3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyQTWXSFGXTCWMNI-UHFFFAOYSA-N
XLogP2.73
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43685440
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzene-1,2,3-triol
CID 107730421
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine (CID 43644966) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine is Cc1n[nH]c(C)c1CNC(C)CCc1ccco1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is QTWXSFGXTCWMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(6-7-13-5-4-8-18-13)15-9-14-11(2)16-17-12(14)3/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43644966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).