N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C15H20N6O — CID 95326358

IUPACN,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESN#CCN(CC#N)C(=O)CCN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H20N6O/c16-5-11-20(12-6-17)15(22)4-10-19-8-1-3-14(19)13-21-9-2-7-18-21/h2,7,9,14H,1,3-4,8,10-13H2/t14-/m0/s1
InChIKeyQUZYWGLDNMMNTF-AWEZNQCLSA-N
MW300.37 g/mol
LogP0.61
Rot. Bonds7

About N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95326358) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95326358
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESN#CCN(CC#N)C(=O)CCN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H20N6O/c16-5-11-20(12-6-17)15(22)4-10-19-8-1-3-14(19)13-21-9-2-7-18-21/h2,7,9,14H,1,3-4,8,10-13H2/t14-/m0/s1
InChIKeyQUZYWGLDNMMNTF-AWEZNQCLSA-N
XLogP0.61
TPSA88.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
1-[[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95313531
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95609417
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95609241

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95326358) is N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is N#CCN(CC#N)C(=O)CCN1CCC[C@H]1Cn1cccn1.
What is the InChIKey of N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is QUZYWGLDNMMNTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N6O/c16-5-11-20(12-6-17)15(22)4-10-19-8-1-3-14(19)13-21-9-2-7-18-21/h2,7,9,14H,1,3-4,8,10-13H2/t14-/m0/s1.
What are the key properties of N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 300.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95326358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).