N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H22N4O2 — CID 50954123

IUPACN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@H]1CO
InChIInChI=1S/C14H22N4O2/c1-18-7-9(6-10(18)8-19)15-14(20)13-11-4-2-3-5-12(11)16-17-13/h9-10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t9-,10+/m1/s1
InChIKeyLMGVZQLKGMZANC-ZJUUUORDSA-N
MW278.36 g/mol
LogP0.08
Rot. Bonds3

About N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 50954123) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID50954123
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@H]1CO
InChIInChI=1S/C14H22N4O2/c1-18-7-9(6-10(18)8-19)15-14(20)13-11-4-2-3-5-12(11)16-17-13/h9-10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t9-,10+/m1/s1
InChIKeyLMGVZQLKGMZANC-ZJUUUORDSA-N
XLogP0.08
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

(3S*,5R*)-5-(1-pyrrolidinylcarbonyl)-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-3-piperidinecarboxylic acid
CID 56897101
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110126449
[4-(2-methoxyethyl)piperidino](4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53150910
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 87053392
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
(4-isopropylpiperazino)(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017432
N-(1-hydroxy-3-methylpentan-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75483762
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94913763
(3S)-2-propyl-8-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868514
[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 97114507
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97266107

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 50954123) is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C[C@H]1CO.
What is the InChIKey of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LMGVZQLKGMZANC-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-7-9(6-10(18)8-19)15-14(20)13-11-4-2-3-5-12(11)16-17-13/h9-10,19H,2-8H2,1H3,(H,15,20)(H,16,17)/t9-,10+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 50954123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).