N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide

C12H20N4O — CID 106607972

IUPACN-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCN(CC1CCCN1)C(=O)CCn1cccn1
InChIInChI=1S/C12H20N4O/c1-15(10-11-4-2-6-13-11)12(17)5-9-16-8-3-7-14-16/h3,7-8,11,13H,2,4-6,9-10H2,1H3
InChIKeyMBAQJZDCOAHQMB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds5

About N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide

N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106607972) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106607972
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCN(CC1CCCN1)C(=O)CCn1cccn1
InChIInChI=1S/C12H20N4O/c1-15(10-11-4-2-6-13-11)12(17)5-9-16-8-3-7-14-16/h3,7-8,11,13H,2,4-6,9-10H2,1H3
InChIKeyMBAQJZDCOAHQMB-UHFFFAOYSA-N
XLogP0.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607976
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612969
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrazol-1-ylpropanamide
CID 106629180
N-methyl-N-(piperidin-2-ylmethyl)nonanamide
CID 106627202
2-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607818
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
CID 54942474
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
CID 106627458
N-ethyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106626307

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106607972) is N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide is CN(CC1CCCN1)C(=O)CCn1cccn1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is MBAQJZDCOAHQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(10-11-4-2-6-13-11)12(17)5-9-16-8-3-7-14-16/h3,7-8,11,13H,2,4-6,9-10H2,1H3.
What are the key properties of N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106607972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).