methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

C18H27N5O3 — CID 49087127

IUPACmethyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)Nc2cnn(CCN(C)C)c2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H27N5O3/c1-6-7-14-15(18(25)26-5)12(2)20-16(14)17(24)21-13-10-19-23(11-13)9-8-22(3)4/h10-11,20H,6-9H2,1-5H3,(H,21,24)
InChIKeyAONYLSFQIGGTJO-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.07
Rot. Bonds8

About methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 49087127) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID49087127
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Namemethyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)Nc2cnn(CCN(C)C)c2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H27N5O3/c1-6-7-14-15(18(25)26-5)12(2)20-16(14)17(24)21-13-10-19-23(11-13)9-8-22(3)4/h10-11,20H,6-9H2,1-5H3,(H,21,24)
InChIKeyAONYLSFQIGGTJO-UHFFFAOYSA-N
XLogP2.07
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 55845047
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 47327832
4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95744361
methyl 2-methyl-5-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 56557573
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
methyl 5-[2-cyanoethyl(methyl)carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60609896
1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882170
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60579760

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 49087127) is methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)Nc2cnn(CCN(C)C)c2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is AONYLSFQIGGTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-6-7-14-15(18(25)26-5)12(2)20-16(14)17(24)21-13-10-19-23(11-13)9-8-22(3)4/h10-11,20H,6-9H2,1-5H3,(H,21,24).
What are the key properties of methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 49087127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).