N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide

C13H19N5O2 — CID 135109548

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C13H19N5O2/c19-7-6-18(10-12-14-4-5-15-12)13(20)3-1-2-11-8-16-17-9-11/h4-5,8-9,19H,1-3,6-7,10H2,(H,14,15)(H,16,17)
InChIKeyBNUCCYYKZUWTSN-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.48
Rot. Bonds8

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 135109548) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
PubChem CID135109548
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C13H19N5O2/c19-7-6-18(10-12-14-4-5-15-12)13(20)3-1-2-11-8-16-17-9-11/h4-5,8-9,19H,1-3,6-7,10H2,(H,14,15)(H,16,17)
InChIKeyBNUCCYYKZUWTSN-UHFFFAOYSA-N
XLogP0.48
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide (CID 135109548) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide is O=C(CCCc1cn[nH]c1)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is BNUCCYYKZUWTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-7-6-18(10-12-14-4-5-15-12)13(20)3-1-2-11-8-16-17-9-11/h4-5,8-9,19H,1-3,6-7,10H2,(H,14,15)(H,16,17).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 277.33 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 135109548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).