3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide

C22H25N5O2 — CID 131895533

IUPAC3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)[nH]n2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)19-13-20(26-25-19)22(28)24-15-21(18-3-2-8-23-14-18)27-9-11-29-12-10-27/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyOIPSEUBCOBYCKN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.58
Rot. Bonds6

About 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 131895533) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID131895533
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)[nH]n2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)19-13-20(26-25-19)22(28)24-15-21(18-3-2-8-23-14-18)27-9-11-29-12-10-27/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyOIPSEUBCOBYCKN-UHFFFAOYSA-N
XLogP2.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
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N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
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methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
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4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
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CID 99970306
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CID 55470975
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
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4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
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N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97114576
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
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N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide (CID 131895533) is 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OIPSEUBCOBYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)19-13-20(26-25-19)22(28)24-15-21(18-3-2-8-23-14-18)27-9-11-29-12-10-27/h2-8,13-14,21H,9-12,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131895533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).