4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide

C14H17N5O2 — CID 176966040

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)c(Nc2cc(C3CC3)[nH]n2)cc1O
InChIInChI=1S/C14H17N5O2/c1-21-12-4-8(14(15)16)11(20)5-10(12)17-13-6-9(18-19-13)7-2-3-7/h4-7,20H,2-3H2,1H3,(H3,15,16)(H2,17,18,19)
InChIKeyMNOQFTBLQLQSHQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.03
Rot. Bonds5

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide (PubChem CID 176966040) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide
PubChem CID176966040
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)c(Nc2cc(C3CC3)[nH]n2)cc1O
InChIInChI=1S/C14H17N5O2/c1-21-12-4-8(14(15)16)11(20)5-10(12)17-13-6-9(18-19-13)7-2-3-7/h4-7,20H,2-3H2,1H3,(H3,15,16)(H2,17,18,19)
InChIKeyMNOQFTBLQLQSHQ-UHFFFAOYSA-N
XLogP2.03
TPSA120.04 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]-4,6-bis(methoxymethoxy)benzoate
CID 155271115
2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrothiophene-5-carboximidamide
CID 88974046
4-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 143775013
2-cyclopropyl-5-methoxypyrimidine-4-carboximidamide
CID 83878076
(1E,3E)-1-chloro-4-[3-[3-(methylamino)-1H-pyrazol-5-yl]cyclopentyl]oxybuta-1,3-diene-1,4-diamine
CID 170612506
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
CID 71139819
[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] formate
CID 176998396
5-[3-[(Z)-1-amino-3-imino-4,4-dimethylpent-1-enyl]cyclopentyl]-N-(3-ethyl-2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine;propane
CID 176949537
N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxy-4-[(2S)-oxetan-2-yl]benzenesulfonamide
CID 177114464
2,4-dimethoxybenzenecarboximidamide
CID 4138242

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide (CID 176966040) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)c(Nc2cc(C3CC3)[nH]n2)cc1O.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide?
The InChIKey is MNOQFTBLQLQSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-21-12-4-8(14(15)16)11(20)5-10(12)17-13-6-9(18-19-13)7-2-3-7/h4-7,20H,2-3H2,1H3,(H3,15,16)(H2,17,18,19).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide has a molecular weight of 287.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-hydroxy-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 176966040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).