(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H29N5O — CID 95720834

IUPAC(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C17H29N5O/c1-12-14(13(2)22-21-12)4-3-7-19-16(23)15-10-17(11-20-15)5-8-18-9-6-17/h15,18,20H,3-11H2,1-2H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyCZITXXDNBUCFQN-OAHLLOKOSA-N
MW319.45 g/mol
LogP0.81
Rot. Bonds5

About (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95720834) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95720834
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C17H29N5O/c1-12-14(13(2)22-21-12)4-3-7-19-16(23)15-10-17(11-20-15)5-8-18-9-6-17/h15,18,20H,3-11H2,1-2H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyCZITXXDNBUCFQN-OAHLLOKOSA-N
XLogP0.81
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95720834) is (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is CZITXXDNBUCFQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-14(13(2)22-21-12)4-3-7-19-16(23)15-10-17(11-20-15)5-8-18-9-6-17/h15,18,20H,3-11H2,1-2H3,(H,19,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95720834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).