N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide

C16H25N3O2 — CID 97143610

IUPACN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2COC3(CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H25N3O2/c1-2-6-12-9-14(19-18-12)15(20)17-13-10-16(21-11-13)7-4-3-5-8-16/h9,13H,2-8,10-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyKDNBWUFGLIJWIT-CYBMUJFWSA-N
MW291.40 g/mol
LogP2.58
Rot. Bonds4

About N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97143610) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97143610
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H]2COC3(CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H25N3O2/c1-2-6-12-9-14(19-18-12)15(20)17-13-10-16(21-11-13)7-4-3-5-8-16/h9,13H,2-8,10-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyKDNBWUFGLIJWIT-CYBMUJFWSA-N
XLogP2.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97143610) is N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@H]2COC3(CCCCC3)C2)n[nH]1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is KDNBWUFGLIJWIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-6-12-9-14(19-18-12)15(20)17-13-10-16(21-11-13)7-4-3-5-8-16/h9,13H,2-8,10-11H2,1H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97143610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).