N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C17H16N6 — CID 56902858

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCCc3cnc[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C17H16N6/c1-2-4-13(5-3-1)15-10-17(23-16(22-15)7-9-21-23)19-8-6-14-11-18-12-20-14/h1-5,7,9-12,19H,6,8H2,(H,18,20)
InChIKeyVZFTZKFPZHDVTN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56902858) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56902858
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCCc3cnc[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C17H16N6/c1-2-4-13(5-3-1)15-10-17(23-16(22-15)7-9-21-23)19-8-6-14-11-18-12-20-14/h1-5,7,9-12,19H,6,8H2,(H,18,20)
InChIKeyVZFTZKFPZHDVTN-UHFFFAOYSA-N
XLogP2.77
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890855
N-[2-(1H-indol-3-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460354
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide
CID 56886142
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95873826
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56902858) is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCCc3cnc[nH]3)n3nccc3n2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VZFTZKFPZHDVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-2-4-13(5-3-1)15-10-17(23-16(22-15)7-9-21-23)19-8-6-14-11-18-12-20-14/h1-5,7,9-12,19H,6,8H2,(H,18,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 304.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56902858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).