N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C18H30N4O — CID 95147558

IUPACN-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1Cn1cccn1)NC1CCCCCC1
InChIInChI=1S/C18H30N4O/c23-18(20-16-7-3-1-2-4-8-16)10-14-21-12-5-9-17(21)15-22-13-6-11-19-22/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t17-/m0/s1
InChIKeyNWJXBWFBWNUGIO-KRWDZBQOSA-N
MW318.46 g/mol
LogP2.58
Rot. Bonds6

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

N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95147558) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95147558
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1Cn1cccn1)NC1CCCCCC1
InChIInChI=1S/C18H30N4O/c23-18(20-16-7-3-1-2-4-8-16)10-14-21-12-5-9-17(21)15-22-13-6-11-19-22/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t17-/m0/s1
InChIKeyNWJXBWFBWNUGIO-KRWDZBQOSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95326358
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide
CID 55243175
N-cycloheptyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 62573457
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95609241
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
N-cyclopropyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79536206

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95147558) is N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC[C@H]1Cn1cccn1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is NWJXBWFBWNUGIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O/c23-18(20-16-7-3-1-2-4-8-16)10-14-21-12-5-9-17(21)15-22-13-6-11-19-22/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t17-/m0/s1.
What are the key properties of N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95147558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).