benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate

C19H21N5O3 — CID 99957560

IUPACbenzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCn1ccn2ncc(C(=O)N3CC[C@H](NC(=O)OCc4ccccc4)C3)c12
InChIInChI=1S/C19H21N5O3/c1-22-9-10-24-17(22)16(11-20-24)18(25)23-8-7-15(12-23)21-19(26)27-13-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyBSRSQYLRLSTADS-HNNXBMFYSA-N
MW367.41 g/mol
LogP1.81
Rot. Bonds4

About benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate

benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 99957560) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID99957560
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namebenzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCn1ccn2ncc(C(=O)N3CC[C@H](NC(=O)OCc4ccccc4)C3)c12
InChIInChI=1S/C19H21N5O3/c1-22-9-10-24-17(22)16(11-20-24)18(25)23-8-7-15(12-23)21-19(26)27-13-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyBSRSQYLRLSTADS-HNNXBMFYSA-N
XLogP1.81
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 99936099
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[(3R)-1-(2-fluoro-5-methoxybenzoyl)pyrrolidin-3-yl]carbamate
CID 122448838
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155507320
benzyl N-[1-(2-fluoro-5-formylbenzoyl)pyrrolidin-3-yl]carbamate
CID 175901169
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131942294
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 74240582
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
benzyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566464

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate (CID 99957560) is benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate is Cn1ccn2ncc(C(=O)N3CC[C@H](NC(=O)OCc4ccccc4)C3)c12.
What is the InChIKey of benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is BSRSQYLRLSTADS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-9-10-24-17(22)16(11-20-24)18(25)23-8-7-15(12-23)21-19(26)27-13-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate?
benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 367.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 99957560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).