1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea

C16H21N5O — CID 94172004

IUPAC1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C16H21N5O/c22-16(18-11-14-6-8-19-20-14)17-10-13-7-9-21(12-13)15-4-2-1-3-5-15/h1-6,8,13H,7,9-12H2,(H,19,20)(H2,17,18,22)/t13-/m1/s1
InChIKeyZZGVLFHDJFCKGN-CYBMUJFWSA-N
MW299.38 g/mol
LogP1.74
Rot. Bonds5

About 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 94172004) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID94172004
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C16H21N5O/c22-16(18-11-14-6-8-19-20-14)17-10-13-7-9-21(12-13)15-4-2-1-3-5-15/h1-6,8,13H,7,9-12H2,(H,19,20)(H2,17,18,22)/t13-/m1/s1
InChIKeyZZGVLFHDJFCKGN-CYBMUJFWSA-N
XLogP1.74
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94028932
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 78893392
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 94172004) is 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)NC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is ZZGVLFHDJFCKGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(18-11-14-6-8-19-20-14)17-10-13-7-9-21(12-13)15-4-2-1-3-5-15/h1-6,8,13H,7,9-12H2,(H,19,20)(H2,17,18,22)/t13-/m1/s1.
What are the key properties of 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 299.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 94172004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).