N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C17H14N6O2 — CID 167899065

IUPACN-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)c2)cn1
InChIInChI=1S/C17H14N6O2/c1-23-8-11(6-21-23)10-3-2-4-12(5-10)22-16(24)13-7-18-15-14(13)17(25)20-9-19-15/h2-9H,1H3,(H,22,24)(H2,18,19,20,25)
InChIKeyQOWWZRJGUWFVII-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.90
Rot. Bonds3

About N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 167899065) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID167899065
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)c2)cn1
InChIInChI=1S/C17H14N6O2/c1-23-8-11(6-21-23)10-3-2-4-12(5-10)22-16(24)13-7-18-15-14(13)17(25)20-9-19-15/h2-9H,1H3,(H,22,24)(H2,18,19,20,25)
InChIKeyQOWWZRJGUWFVII-UHFFFAOYSA-N
XLogP1.90
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167855111
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656
4-oxo-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366447
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366418
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167928325

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 167899065) is N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is Cn1cc(-c2cccc(NC(=O)c3c[nH]c4nc[nH]c(=O)c34)c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QOWWZRJGUWFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23-8-11(6-21-23)10-3-2-4-12(5-10)22-16(24)13-7-18-15-14(13)17(25)20-9-19-15/h2-9H,1H3,(H,22,24)(H2,18,19,20,25).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 167899065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).