1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

C12H10ClN5OS — CID 103322828

IUPAC1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCCc1cc2c(-n3ccc(C(N)=O)n3)nc(Cl)nc2s1
InChIInChI=1S/C12H10ClN5OS/c1-2-6-5-7-10(15-12(13)16-11(7)20-6)18-4-3-8(17-18)9(14)19/h3-5H,2H2,1H3,(H2,14,19)
InChIKeyLQAVMWSYQQJUOA-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 103322828) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID103322828
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCCc1cc2c(-n3ccc(C(N)=O)n3)nc(Cl)nc2s1
InChIInChI=1S/C12H10ClN5OS/c1-2-6-5-7-10(15-12(13)16-11(7)20-6)18-4-3-8(17-18)9(14)19/h3-5H,2H2,1H3,(H2,14,19)
InChIKeyLQAVMWSYQQJUOA-UHFFFAOYSA-N
XLogP2.19
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
CID 103322814
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 103322802
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
CID 103335986
[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 87802888
4-amino-2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82066413
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103322436
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
4-(3-cyclopropylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331118
2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066014
1-(2-chloropyrimidin-4-yl)pyrazole-3-carboxamide
CID 64781374

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide (CID 103322828) is 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide is CCc1cc2c(-n3ccc(C(N)=O)n3)nc(Cl)nc2s1.
What is the InChIKey of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is LQAVMWSYQQJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-2-6-5-7-10(15-12(13)16-11(7)20-6)18-4-3-8(17-18)9(14)19/h3-5H,2H2,1H3,(H2,14,19).
What are the key properties of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 307.77 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 103322828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).