1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C16H29N5O — CID 71878874

IUPAC1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H29N5O/c1-12-15(13(2)21(5)18-12)6-8-17-16(22)20(4)11-14-7-9-19(3)10-14/h14H,6-11H2,1-5H3,(H,17,22)
InChIKeyHLMKGPZFUQMCGF-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.17
Rot. Bonds5

About 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 71878874) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID71878874
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C16H29N5O/c1-12-15(13(2)21(5)18-12)6-8-17-16(22)20(4)11-14-7-9-19(3)10-14/h14H,6-11H2,1-5H3,(H,17,22)
InChIKeyHLMKGPZFUQMCGF-UHFFFAOYSA-N
XLogP1.17
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

4-(cyclopropanecarbonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86802718
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
2-[(2R)-1-methylpiperidin-2-yl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51599887
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 71878874) is 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1CCNC(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is HLMKGPZFUQMCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-15(13(2)21(5)18-12)6-8-17-16(22)20(4)11-14-7-9-19(3)10-14/h14H,6-11H2,1-5H3,(H,17,22).
What are the key properties of 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 307.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 71878874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).