2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C16H19FN4O3 — CID 91772570

IUPAC2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C16H19FN4O3/c17-12-3-1-2-11(6-12)8-18-16(24)20-4-5-21-13(9-20)7-14(19-21)15(23)10-22/h1-3,6-7,15,22-23H,4-5,8-10H2,(H,18,24)
InChIKeyNSKWATBNUSCQCV-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.77
Rot. Bonds4

About 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 91772570) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID91772570
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C16H19FN4O3/c17-12-3-1-2-11(6-12)8-18-16(24)20-4-5-21-13(9-20)7-14(19-21)15(23)10-22/h1-3,6-7,15,22-23H,4-5,8-10H2,(H,18,24)
InChIKeyNSKWATBNUSCQCV-UHFFFAOYSA-N
XLogP0.77
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 91769208
[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 99974491
(E)-1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-phenylprop-2-en-1-one
CID 91794202
2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
1-[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 90653418
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 99971443
3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
CID 134071733
(E)-1-[2-[(1S)-1,2-dihydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenylprop-2-en-1-one
CID 99974056

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 91772570) is 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(NCc1cccc(F)c1)N1CCn2nc(C(O)CO)cc2C1.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NSKWATBNUSCQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-12-3-1-2-11(6-12)8-18-16(24)20-4-5-21-13(9-20)7-14(19-21)15(23)10-22/h1-3,6-7,15,22-23H,4-5,8-10H2,(H,18,24).
What are the key properties of 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-N-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 91772570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).