N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H16N4O2 — CID 167796987

IUPACN-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)c1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C14H16N4O2/c19-12-6-8-15-13-11(9-17-18(12)13)14(20)16-7-5-10-3-1-2-4-10/h3,6,8-9,17H,1-2,4-5,7H2,(H,16,20)
InChIKeyZMDUVZOVVQNJQU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167796987) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167796987
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)c1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C14H16N4O2/c19-12-6-8-15-13-11(9-17-18(12)13)14(20)16-7-5-10-3-1-2-4-10/h3,6,8-9,17H,1-2,4-5,7H2,(H,16,20)
InChIKeyZMDUVZOVVQNJQU-UHFFFAOYSA-N
XLogP1.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167796987) is N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCC1=CCCC1)c1c[nH]n2c(=O)ccnc12.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZMDUVZOVVQNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-12-6-8-15-13-11(9-17-18(12)13)14(20)16-7-5-10-3-1-2-4-10/h3,6,8-9,17H,1-2,4-5,7H2,(H,16,20).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167796987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).