1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide

C21H23N5O2 — CID 122300603

IUPAC1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)CC1
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-26(15(13)3)20-22-11-16(12-23-20)24-19(27)21(9-10-21)17-7-5-6-8-18(17)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,27)
InChIKeyDDXQAGGKFICVJE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide (PubChem CID 122300603) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
PubChem CID122300603
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)CC1
InChIInChI=1S/C21H23N5O2/c1-13-14(2)25-26(15(13)3)20-22-11-16(12-23-20)24-19(27)21(9-10-21)17-7-5-6-8-18(17)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,27)
InChIKeyDDXQAGGKFICVJE-UHFFFAOYSA-N
XLogP3.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide (CID 122300603) is 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is DDXQAGGKFICVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-14(2)25-26(15(13)3)20-22-11-16(12-23-20)24-19(27)21(9-10-21)17-7-5-6-8-18(17)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,24,27).
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122300603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).