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

C13H22N4O2 — CID 106612969

IUPACN-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCn1cccn1)N(CCO)CC1CCCN1
InChIInChI=1S/C13H22N4O2/c18-10-9-16(11-12-3-1-5-14-12)13(19)4-8-17-7-2-6-15-17/h2,6-7,12,14,18H,1,3-5,8-11H2
InChIKeyIFFBOBHIXUNNBY-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.15
Rot. Bonds7

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

N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106612969) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106612969
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCn1cccn1)N(CCO)CC1CCCN1
InChIInChI=1S/C13H22N4O2/c18-10-9-16(11-12-3-1-5-14-12)13(19)4-8-17-7-2-6-15-17/h2,6-7,12,14,18H,1,3-5,8-11H2
InChIKeyIFFBOBHIXUNNBY-UHFFFAOYSA-N
XLogP-0.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607972
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106613013
N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607976
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612468
3-imidazol-1-yl-N-(piperidin-2-ylmethyl)-N-propylpropanamide
CID 106625844
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
N-ethyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106626307
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458
N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106612775
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106612969) is N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide is O=C(CCn1cccn1)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is IFFBOBHIXUNNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-10-9-16(11-12-3-1-5-14-12)13(19)4-8-17-7-2-6-15-17/h2,6-7,12,14,18H,1,3-5,8-11H2.
What are the key properties of N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide?
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106612969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).