N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine

C17H15N5O — CID 97020614

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESC[C@@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1
InChIInChI=1S/C17H15N5O/c1-12(15-9-13-5-2-3-6-14(13)23-15)20-16-10-18-11-17(21-16)22-8-4-7-19-22/h2-12H,1H3,(H,20,21)/t12-/m1/s1
InChIKeyNGZDKZCQHRKYLZ-GFCCVEGCSA-N
MW305.34 g/mol
LogP3.58
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 97020614) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID97020614
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESC[C@@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1
InChIInChI=1S/C17H15N5O/c1-12(15-9-13-5-2-3-6-14(13)23-15)20-16-10-18-11-17(21-16)22-8-4-7-19-22/h2-12H,1H3,(H,20,21)/t12-/m1/s1
InChIKeyNGZDKZCQHRKYLZ-GFCCVEGCSA-N
XLogP3.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-6-pyrazol-1-ylpyrazin-2-amine
CID 71940133
4-methyl-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]pentanoic acid
CID 122062606
(2S,4S)-2-methyl-4-[(6-pyrazol-1-ylpyrazin-2-yl)amino]hexan-1-ol
CID 95783013
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905207
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
CID 99781367
N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
N-[1-(1-benzofuran-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260962
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine (CID 97020614) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine is C[C@@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is NGZDKZCQHRKYLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12(15-9-13-5-2-3-6-14(13)23-15)20-16-10-18-11-17(21-16)22-8-4-7-19-22/h2-12H,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 97020614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).