N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine

C18H31N3 — CID 79562921

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
SMILESCc1nn(CC2CC3CCC2C3)c(C)c1CCNC(C)C
InChIInChI=1S/C18H31N3/c1-12(2)19-8-7-18-13(3)20-21(14(18)4)11-17-10-15-5-6-16(17)9-15/h12,15-17,19H,5-11H2,1-4H3
InChIKeyHGYYDQORYNZSJQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine

N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine (PubChem CID 79562921) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
PubChem CID79562921
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
SMILESCc1nn(CC2CC3CCC2C3)c(C)c1CCNC(C)C
InChIInChI=1S/C18H31N3/c1-12(2)19-8-7-18-13(3)20-21(14(18)4)11-17-10-15-5-6-16(17)9-15/h12,15-17,19H,5-11H2,1-4H3
InChIKeyHGYYDQORYNZSJQ-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine (CID 79562921) is N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine is Cc1nn(CC2CC3CCC2C3)c(C)c1CCNC(C)C.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine?
The InChIKey is HGYYDQORYNZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12(2)19-8-7-18-13(3)20-21(14(18)4)11-17-10-15-5-6-16(17)9-15/h12,15-17,19H,5-11H2,1-4H3.
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine?
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine is sourced from PubChem (CID 79562921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).