2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide

C19H21N5O — CID 97189691

IUPAC2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C19H21N5O/c1-4-18-20-11-15(12-21-18)19(25)24(3)13(2)16-10-17(23-22-16)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyMSLXINZMEWWBHU-ZDUSSCGKSA-N
MW335.41 g/mol
LogP3.26
Rot. Bonds5

About 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide

2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 97189691) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID97189691
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C19H21N5O/c1-4-18-20-11-15(12-21-18)19(25)24(3)13(2)16-10-17(23-22-16)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyMSLXINZMEWWBHU-ZDUSSCGKSA-N
XLogP3.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide (CID 97189691) is 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cn1.
What is the InChIKey of 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is MSLXINZMEWWBHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O/c1-4-18-20-11-15(12-21-18)19(25)24(3)13(2)16-10-17(23-22-16)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide?
2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97189691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).