1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide

C16H21N5O — CID 95384990

IUPAC1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCCc3nc(C)ncc32)c(C)n1
InChIInChI=1S/C16H21N5O/c1-4-21-9-13(10(2)20-21)16(22)19-15-7-5-6-14-12(15)8-17-11(3)18-14/h8-9,15H,4-7H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYEVUYPQQTCAMLL-HNNXBMFYSA-N
MW299.38 g/mol
LogP2.12
Rot. Bonds3

About 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide (PubChem CID 95384990) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
PubChem CID95384990
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCCc3nc(C)ncc32)c(C)n1
InChIInChI=1S/C16H21N5O/c1-4-21-9-13(10(2)20-21)16(22)19-15-7-5-6-14-12(15)8-17-11(3)18-14/h8-9,15H,4-7H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyYEVUYPQQTCAMLL-HNNXBMFYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide (CID 95384990) is 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@H]2CCCc3nc(C)ncc32)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide?
The InChIKey is YEVUYPQQTCAMLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-21-9-13(10(2)20-21)16(22)19-15-7-5-6-14-12(15)8-17-11(3)18-14/h8-9,15H,4-7H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 95384990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).