N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide

C17H28N4O — CID 56825328

IUPACN-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C17H28N4O/c1-3-8-21(11-14-6-7-14)17(22)13-20-9-4-5-16(20)15-10-18-19(2)12-15/h10,12,14,16H,3-9,11,13H2,1-2H3
InChIKeyXYRFYKIBLYMBGD-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.21
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide

N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide (PubChem CID 56825328) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
PubChem CID56825328
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C17H28N4O/c1-3-8-21(11-14-6-7-14)17(22)13-20-9-4-5-16(20)15-10-18-19(2)12-15/h10,12,14,16H,3-9,11,13H2,1-2H3
InChIKeyXYRFYKIBLYMBGD-UHFFFAOYSA-N
XLogP2.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide (CID 56825328) is N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide is CCCN(CC1CC1)C(=O)CN1CCCC1c1cnn(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide?
The InChIKey is XYRFYKIBLYMBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-8-21(11-14-6-7-14)17(22)13-20-9-4-5-16(20)15-10-18-19(2)12-15/h10,12,14,16H,3-9,11,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide?
N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide has a molecular weight of 304.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 56825328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).