N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide

C18H25N5O2 — CID 166204498

IUPACN-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C18H25N5O2/c1-21-8-10-23(11-9-21)13-14-4-5-17(25-3)16(12-14)19-18(24)15-6-7-22(2)20-15/h4-7,12H,8-11,13H2,1-3H3,(H,19,24)
InChIKeyITDUMKMYZLVSMP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.43
Rot. Bonds5

About N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide

N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 166204498) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID166204498
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C18H25N5O2/c1-21-8-10-23(11-9-21)13-14-4-5-17(25-3)16(12-14)19-18(24)15-6-7-22(2)20-15/h4-7,12H,8-11,13H2,1-3H3,(H,19,24)
InChIKeyITDUMKMYZLVSMP-UHFFFAOYSA-N
XLogP1.43
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 126812587
N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 103121306
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 75369910
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119420648
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
CID 141493475
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
N-[5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-2-methoxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521889

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide (CID 166204498) is N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide is COc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccn(C)n1.
What is the InChIKey of N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ITDUMKMYZLVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21-8-10-23(11-9-21)13-14-4-5-17(25-3)16(12-14)19-18(24)15-6-7-22(2)20-15/h4-7,12H,8-11,13H2,1-3H3,(H,19,24).
What are the key properties of N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide?
N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166204498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).