N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

C26H28N6O3 — CID 45167455

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1-c1ccco1
InChIInChI=1S/C26H28N6O3/c1-3-31-14-6-8-18(31)16-28-25(33)20-17-29-32(24(20)23-11-7-15-35-23)26-27-13-12-21(30-26)19-9-4-5-10-22(19)34-2/h4-5,7,9-13,15,17-18H,3,6,8,14,16H2,1-2H3,(H,28,33)
InChIKeyVDEQJUARHVPUSQ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.81
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 45167455) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID45167455
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1-c1ccco1
InChIInChI=1S/C26H28N6O3/c1-3-31-14-6-8-18(31)16-28-25(33)20-17-29-32(24(20)23-11-7-15-35-23)26-27-13-12-21(30-26)19-9-4-5-10-22(19)34-2/h4-5,7,9-13,15,17-18H,3,6,8,14,16H2,1-2H3,(H,28,33)
InChIKeyVDEQJUARHVPUSQ-UHFFFAOYSA-N
XLogP3.81
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 45167455) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1-c1ccco1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is VDEQJUARHVPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-3-31-14-6-8-18(31)16-28-25(33)20-17-29-32(24(20)23-11-7-15-35-23)26-27-13-12-21(30-26)19-9-4-5-10-22(19)34-2/h4-5,7,9-13,15,17-18H,3,6,8,14,16H2,1-2H3,(H,28,33).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(furan-2-yl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 45167455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).