5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N5O2 — CID 66677518

IUPAC5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1CNc1ccn2ncc(C(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C22H21N5O2/c1-2-29-19-11-7-6-8-16(19)14-23-20-12-13-27-21(26-20)18(15-24-27)22(28)25-17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,25,28)
InChIKeyQQOAABZMKAOUSV-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.99
Rot. Bonds7

About 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66677518) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66677518
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1CNc1ccn2ncc(C(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C22H21N5O2/c1-2-29-19-11-7-6-8-16(19)14-23-20-12-13-27-21(26-20)18(15-24-27)22(28)25-17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,25,28)
InChIKeyQQOAABZMKAOUSV-UHFFFAOYSA-N
XLogP3.99
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
5-(2-hydroxyethylamino)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677577
5-[(3-methylimidazol-4-yl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676454
5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211
5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063418
N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677737
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
N-(3-hydroxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063125
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154402511
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66677518) is 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccccc1CNc1ccn2ncc(C(=O)Nc3ccccc3)c2n1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QQOAABZMKAOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-29-19-11-7-6-8-16(19)14-23-20-12-13-27-21(26-20)18(15-24-27)22(28)25-17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,25,28).
What are the key properties of 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66677518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).