N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide

C17H28N4O3 — CID 145062801

IUPACN-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(C(O)N2CCC(NC(=O)C3CCOCC3)C2)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13,17,23H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWCDWZWYTZZCDLV-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.14
Rot. Bonds5

About N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide

N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 145062801) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID145062801
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(C(O)N2CCC(NC(=O)C3CCOCC3)C2)[nH]n1
InChIInChI=1S/C17H28N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13,17,23H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWCDWZWYTZZCDLV-UHFFFAOYSA-N
XLogP1.14
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide (CID 145062801) is N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide is CC(C)c1cc(C(O)N2CCC(NC(=O)C3CCOCC3)C2)[nH]n1.
What is the InChIKey of N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is WCDWZWYTZZCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13,17,23H,3-8,10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[hydroxy-(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 145062801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).