N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N5O2 — CID 167946516

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(c1ccc(NC(=O)c2c[nH]n3c(=O)ccnc23)cc1)C(C)C
InChIInChI=1S/C18H21N5O2/c1-4-22(12(2)3)14-7-5-13(6-8-14)21-18(25)15-11-20-23-16(24)9-10-19-17(15)23/h5-12,20H,4H2,1-3H3,(H,21,25)
InChIKeyCBVGBGOZIOMXKP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.51
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167946516) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167946516
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(c1ccc(NC(=O)c2c[nH]n3c(=O)ccnc23)cc1)C(C)C
InChIInChI=1S/C18H21N5O2/c1-4-22(12(2)3)14-7-5-13(6-8-14)21-18(25)15-11-20-23-16(24)9-10-19-17(15)23/h5-12,20H,4H2,1-3H3,(H,21,25)
InChIKeyCBVGBGOZIOMXKP-UHFFFAOYSA-N
XLogP2.51
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18136097
N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 166181450
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 47260947
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43054134
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-iodo-5-nitrobenzamide
CID 55684577

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167946516) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(c1ccc(NC(=O)c2c[nH]n3c(=O)ccnc23)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CBVGBGOZIOMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-22(12(2)3)14-7-5-13(6-8-14)21-18(25)15-11-20-23-16(24)9-10-19-17(15)23/h5-12,20H,4H2,1-3H3,(H,21,25).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167946516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).