N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide

C23H29N7O3 — CID 66589962

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCNC1CCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)cn2)C1
InChIInChI=1S/C23H29N7O3/c1-24-17-6-7-30(14-17)22-13-25-20(12-26-22)23(31)27-21-10-16(28-29-21)5-4-15-8-18(32-2)11-19(9-15)33-3/h8-13,17,24H,4-7,14H2,1-3H3,(H2,27,28,29,31)
InChIKeyNCZOJGDOHRHOQD-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.05
Rot. Bonds9

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide (PubChem CID 66589962) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
PubChem CID66589962
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCNC1CCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)cn2)C1
InChIInChI=1S/C23H29N7O3/c1-24-17-6-7-30(14-17)22-13-25-20(12-26-22)23(31)27-21-10-16(28-29-21)5-4-15-8-18(32-2)11-19(9-15)33-3/h8-13,17,24H,4-7,14H2,1-3H3,(H2,27,28,29,31)
InChIKeyNCZOJGDOHRHOQD-UHFFFAOYSA-N
XLogP2.05
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide (CID 66589962) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide is CNC1CCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)cn2)C1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is NCZOJGDOHRHOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-24-17-6-7-30(14-17)22-13-25-20(12-26-22)23(31)27-21-10-16(28-29-21)5-4-15-8-18(32-2)11-19(9-15)33-3/h8-13,17,24H,4-7,14H2,1-3H3,(H2,27,28,29,31).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 66589962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).